Tomić, Zoran D.

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orcid::0000-0003-4436-1724
  • Tomić, Zoran D. (10)
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Author's Bibliography

Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs'

Hollo, Berta Barta; Szecsenyi, Katalin Meszaros; Deli, Maria; Kiss, Lorand; Kallay-Menyhard, Alfred; Živković-Radovanović, Vukosava; Tomić, Zoran D.

(Springer/Plenum Publishers, New York, 2016)

TY  - JOUR
AU  - Hollo, Berta Barta
AU  - Szecsenyi, Katalin Meszaros
AU  - Deli, Maria
AU  - Kiss, Lorand
AU  - Kallay-Menyhard, Alfred
AU  - Živković-Radovanović, Vukosava
AU  - Tomić, Zoran D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2280
AB  - Synthetic paths toward the two polymorphs of a monohydrate, one anhydrous polymorph of 1-carboxamidino-5-hydroxy-3-methylpyrazole (hcmp) and two polymorphs of zinc complexes containing hcmp ligand are presented. By choosing ions which are not part of the final product, it is possible to direct the synthesis toward the particular polymorph. In all three modifications of hcmp, the same hydrogen bonding motif appears, leading to formation of similar molecular chains. Differences arise due to different modes of chain aggregation and the presence of solvent water. Analysis of the crystal packing and the energetic features of hcmp polymorphs is made using the PIXEL model. The thermal decomposition processes are examined using differential scanning calorimetry and thermogravimetry. Analysis of crystal packing in the two polymorphs of zinc complex suggests the key role of the hydrogen bonding capacity of the aqua ligand for the appearance of the two polymorphic forms. In both polymorphs of zinc complex, stacking interactions have an important role. However, the enhanced hydrogen bonding capacity of the aqua ligand influences the formation of multistacking arrangement.
PB  - Springer/Plenum Publishers, New York
T2  - Structural Chemistry
T1  - Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs'
VL  - 27
IS  - 4
SP  - 1121
EP  - 1133
DO  - 10.1007/s11224-015-0734-1
ER  - 
@article{
author = "Hollo, Berta Barta and Szecsenyi, Katalin Meszaros and Deli, Maria and Kiss, Lorand and Kallay-Menyhard, Alfred and Živković-Radovanović, Vukosava and Tomić, Zoran D.",
year = "2016",
abstract = "Synthetic paths toward the two polymorphs of a monohydrate, one anhydrous polymorph of 1-carboxamidino-5-hydroxy-3-methylpyrazole (hcmp) and two polymorphs of zinc complexes containing hcmp ligand are presented. By choosing ions which are not part of the final product, it is possible to direct the synthesis toward the particular polymorph. In all three modifications of hcmp, the same hydrogen bonding motif appears, leading to formation of similar molecular chains. Differences arise due to different modes of chain aggregation and the presence of solvent water. Analysis of the crystal packing and the energetic features of hcmp polymorphs is made using the PIXEL model. The thermal decomposition processes are examined using differential scanning calorimetry and thermogravimetry. Analysis of crystal packing in the two polymorphs of zinc complex suggests the key role of the hydrogen bonding capacity of the aqua ligand for the appearance of the two polymorphic forms. In both polymorphs of zinc complex, stacking interactions have an important role. However, the enhanced hydrogen bonding capacity of the aqua ligand influences the formation of multistacking arrangement.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Structural Chemistry",
title = "Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs'",
volume = "27",
number = "4",
pages = "1121-1133",
doi = "10.1007/s11224-015-0734-1"
}
Hollo, B. B., Szecsenyi, K. M., Deli, M., Kiss, L., Kallay-Menyhard, A., Živković-Radovanović, V.,& Tomić, Z. D.. (2016). Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs'. in Structural Chemistry
Springer/Plenum Publishers, New York., 27(4), 1121-1133.
https://doi.org/10.1007/s11224-015-0734-1
Hollo BB, Szecsenyi KM, Deli M, Kiss L, Kallay-Menyhard A, Živković-Radovanović V, Tomić ZD. Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs'. in Structural Chemistry. 2016;27(4):1121-1133.
doi:10.1007/s11224-015-0734-1 .
Hollo, Berta Barta, Szecsenyi, Katalin Meszaros, Deli, Maria, Kiss, Lorand, Kallay-Menyhard, Alfred, Živković-Radovanović, Vukosava, Tomić, Zoran D., "Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs'" in Structural Chemistry, 27, no. 4 (2016):1121-1133,
https://doi.org/10.1007/s11224-015-0734-1 . .
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Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings

Sredojević, Dušan N.; Vojislavljević-Vasilev, Dubravka; Tomić, Zoran D.; Zarić, Snežana D.

(Wiley-Blackwell, Malden, 2012)

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1298
AB  - Stacking interactions in the crystal structures of square-planar transition metal complexes from the Cambridge Structural Database with five-and six-membered chelate rings fused with C6-arom rings (arom = aromatic) were analyzed. The distribution of distances between the closest C6-arom-C6-arom and C6-arom-chelate contacts shows that in a large fraction of the intermolecular interactions the C6-arom ring of one molecule is closer to the chelate than to the C6-arom ring of the other molecule. These results indicate a possible preference of the C6-arom ring to form stacking contacts with the chelate rings. The preference is ubiquitous and does not depend on the metal type.
PB  - Wiley-Blackwell, Malden
T2  - Acta Crystallographica. Section B: Structural Science
T1  - Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings
VL  - 68
SP  - 261
EP  - 265
DO  - 10.1107/S0108768112012281
ER  - 
@article{
author = "Sredojević, Dušan N. and Vojislavljević-Vasilev, Dubravka and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2012",
abstract = "Stacking interactions in the crystal structures of square-planar transition metal complexes from the Cambridge Structural Database with five-and six-membered chelate rings fused with C6-arom rings (arom = aromatic) were analyzed. The distribution of distances between the closest C6-arom-C6-arom and C6-arom-chelate contacts shows that in a large fraction of the intermolecular interactions the C6-arom ring of one molecule is closer to the chelate than to the C6-arom ring of the other molecule. These results indicate a possible preference of the C6-arom ring to form stacking contacts with the chelate rings. The preference is ubiquitous and does not depend on the metal type.",
publisher = "Wiley-Blackwell, Malden",
journal = "Acta Crystallographica. Section B: Structural Science",
title = "Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings",
volume = "68",
pages = "261-265",
doi = "10.1107/S0108768112012281"
}
Sredojević, D. N., Vojislavljević-Vasilev, D., Tomić, Z. D.,& Zarić, S. D.. (2012). Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings. in Acta Crystallographica. Section B: Structural Science
Wiley-Blackwell, Malden., 68, 261-265.
https://doi.org/10.1107/S0108768112012281
Sredojević DN, Vojislavljević-Vasilev D, Tomić ZD, Zarić SD. Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings. in Acta Crystallographica. Section B: Structural Science. 2012;68:261-265.
doi:10.1107/S0108768112012281 .
Sredojević, Dušan N., Vojislavljević-Vasilev, Dubravka, Tomić, Zoran D., Zarić, Snežana D., "Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings" in Acta Crystallographica. Section B: Structural Science, 68 (2012):261-265,
https://doi.org/10.1107/S0108768112012281 . .
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Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes

Sredojević, Dušan N.; Tomić, Zoran D.; Zarić, Snežana D.

(Amer Chemical Soc, Washington, 2010)

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1062
AB  - Evidence of chelate-chelate stacking interactions was obtained by analyzing crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database. The analysis showed that chelate-chelate stacking interactions occur in a large number of the crystal structures of neutral square-planar complexes. We found 955 structures with 1866 chelate-chelate stacking interactions. In most of the structures, dictate rings are fused with other chelate rings or with organic aromatic rings; however, chelate chelate stacking interactions of isolated rings were also found. In order to describe the geometry of the chelate-chelate stacking interactions, several geometric parameters were analyzed. In most of the interactions, two chelate rings are in parallel or antiparallel orientation. The normal distances are similar to the distances of stacking interactions observed in other systems, while the offset of two interacting chelate rings can be different from that observed in other systems.
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth and Design
T1  - Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes
VL  - 10
IS  - 9
SP  - 3901
EP  - 3908
DO  - 10.1021/cg100312r
ER  - 
@article{
author = "Sredojević, Dušan N. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2010",
abstract = "Evidence of chelate-chelate stacking interactions was obtained by analyzing crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database. The analysis showed that chelate-chelate stacking interactions occur in a large number of the crystal structures of neutral square-planar complexes. We found 955 structures with 1866 chelate-chelate stacking interactions. In most of the structures, dictate rings are fused with other chelate rings or with organic aromatic rings; however, chelate chelate stacking interactions of isolated rings were also found. In order to describe the geometry of the chelate-chelate stacking interactions, several geometric parameters were analyzed. In most of the interactions, two chelate rings are in parallel or antiparallel orientation. The normal distances are similar to the distances of stacking interactions observed in other systems, while the offset of two interacting chelate rings can be different from that observed in other systems.",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth and Design",
title = "Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes",
volume = "10",
number = "9",
pages = "3901-3908",
doi = "10.1021/cg100312r"
}
Sredojević, D. N., Tomić, Z. D.,& Zarić, S. D.. (2010). Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes. in Crystal Growth and Design
Amer Chemical Soc, Washington., 10(9), 3901-3908.
https://doi.org/10.1021/cg100312r
Sredojević DN, Tomić ZD, Zarić SD. Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes. in Crystal Growth and Design. 2010;10(9):3901-3908.
doi:10.1021/cg100312r .
Sredojević, Dušan N., Tomić, Zoran D., Zarić, Snežana D., "Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes" in Crystal Growth and Design, 10, no. 9 (2010):3901-3908,
https://doi.org/10.1021/cg100312r . .
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Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems

Keith, Jason M.; Tomić, Zoran D.; Zarić, Snežana D.; Hall, Michael B.

(Elsevier Science Bv, Amsterdam, 2010)

TY  - JOUR
AU  - Keith, Jason M.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
AU  - Hall, Michael B.
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1087
AB  - Catalytic oxygen atom transfer (OAT), which frequently employs molybdenum oxo species, is an important reaction for both nature and industry. The mechanistic details of oxygen atom transfer from Tp(R)MoO(2)(XPh) to PMe(3) were investigated for R = 3-iPr and 3-Me and X=O and S by density functional theory (DFT) calculations of the enthalpies, free energy with solvent corrections, and natural bond orbital (NBO) analysis. The mechanism for both systems proceeds via rate-determining attack of PMe(3) to form a stable intermediate with a bound OPMe(3) ligand. From this intermediate the reaction proceeds through a substitution involving loss of OPMe(3) and coordination of a single CH(3)CN solvent molecule. The solvent corrected free energy barriers of the rate-determining OAT step for the O and S systems were found to be energetically more favorable for the S systems by 6.2 and 2.2 kcal/mol (for the R=3-iPr and 3-Me, respectively). This lower energy barrier is the result of better stabilization by the SPh ligand of the Mo(IV) products and the transition states, which are the unexpectedly later and more product-like. Additional examination of the NBO analysis emphasizes the role of the local acidity of the Mo and by extension the character of the ligands. The decreased electronegativity and softer character of the S atom result in an increased covalent character in the Mo-X bond which leads to the stabilization of a later (and lower energy) transition state and the corresponding product of the S system relative to O system. (C) 2010 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Catalysis. A: Chemical
T1  - Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems
VL  - 324
IS  - 1-2
SP  - 15
EP  - 23
DO  - 10.1016/j.molcata.2010.02.027
ER  - 
@article{
author = "Keith, Jason M. and Tomić, Zoran D. and Zarić, Snežana D. and Hall, Michael B.",
year = "2010",
abstract = "Catalytic oxygen atom transfer (OAT), which frequently employs molybdenum oxo species, is an important reaction for both nature and industry. The mechanistic details of oxygen atom transfer from Tp(R)MoO(2)(XPh) to PMe(3) were investigated for R = 3-iPr and 3-Me and X=O and S by density functional theory (DFT) calculations of the enthalpies, free energy with solvent corrections, and natural bond orbital (NBO) analysis. The mechanism for both systems proceeds via rate-determining attack of PMe(3) to form a stable intermediate with a bound OPMe(3) ligand. From this intermediate the reaction proceeds through a substitution involving loss of OPMe(3) and coordination of a single CH(3)CN solvent molecule. The solvent corrected free energy barriers of the rate-determining OAT step for the O and S systems were found to be energetically more favorable for the S systems by 6.2 and 2.2 kcal/mol (for the R=3-iPr and 3-Me, respectively). This lower energy barrier is the result of better stabilization by the SPh ligand of the Mo(IV) products and the transition states, which are the unexpectedly later and more product-like. Additional examination of the NBO analysis emphasizes the role of the local acidity of the Mo and by extension the character of the ligands. The decreased electronegativity and softer character of the S atom result in an increased covalent character in the Mo-X bond which leads to the stabilization of a later (and lower energy) transition state and the corresponding product of the S system relative to O system. (C) 2010 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Catalysis. A: Chemical",
title = "Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems",
volume = "324",
number = "1-2",
pages = "15-23",
doi = "10.1016/j.molcata.2010.02.027"
}
Keith, J. M., Tomić, Z. D., Zarić, S. D.,& Hall, M. B.. (2010). Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems. in Journal of Molecular Catalysis. A: Chemical
Elsevier Science Bv, Amsterdam., 324(1-2), 15-23.
https://doi.org/10.1016/j.molcata.2010.02.027
Keith JM, Tomić ZD, Zarić SD, Hall MB. Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems. in Journal of Molecular Catalysis. A: Chemical. 2010;324(1-2):15-23.
doi:10.1016/j.molcata.2010.02.027 .
Keith, Jason M., Tomić, Zoran D., Zarić, Snežana D., Hall, Michael B., "Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems" in Journal of Molecular Catalysis. A: Chemical, 324, no. 1-2 (2010):15-23,
https://doi.org/10.1016/j.molcata.2010.02.027 . .
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Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes

Sredojević, Dušan N.; Tomić, Zoran D.; Zarić, Snežana D.

(Versita, Warsaw 41, 2007)

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2007
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/821
AB  - In order to find out whether metal type influences the stacking interactions of phenyl rings in square-planar complexes, geometrical parameters for Cu, Ni, Pd and Pt complexes, with and without chelate rings, were analyzed and compared. By searching the Cambridge Structural Database, 220 structures with Cu complexes, 211 with Ni complexes, 285 with Pd complexes, and 220 with Pt complexes were found. The results show that the chelate ring has a tendency to make the stacking interaction with the phenyl ring independent of metal type in the chelate ring. However, there are some differences among metals for complexes without a chelate ring. There are a number of structures containing Pd and Pt complexes, without chelate rings, that have short carbon-metal distances and parallel orientations of the phenyl ring with respect to the coordination plane. It was found that some of these complexes have a common fragment, CN, as a part of the ligands. This indicates that the CN supports stacking interactions of square planar complexes with the phenyl ring. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.
PB  - Versita, Warsaw 41
T2  - Central European Journal of Chemistry
T1  - Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes
VL  - 5
IS  - 1
SP  - 20
EP  - 31
DO  - 10.2478/s11532-006-0068-3
ER  - 
@article{
author = "Sredojević, Dušan N. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2007",
abstract = "In order to find out whether metal type influences the stacking interactions of phenyl rings in square-planar complexes, geometrical parameters for Cu, Ni, Pd and Pt complexes, with and without chelate rings, were analyzed and compared. By searching the Cambridge Structural Database, 220 structures with Cu complexes, 211 with Ni complexes, 285 with Pd complexes, and 220 with Pt complexes were found. The results show that the chelate ring has a tendency to make the stacking interaction with the phenyl ring independent of metal type in the chelate ring. However, there are some differences among metals for complexes without a chelate ring. There are a number of structures containing Pd and Pt complexes, without chelate rings, that have short carbon-metal distances and parallel orientations of the phenyl ring with respect to the coordination plane. It was found that some of these complexes have a common fragment, CN, as a part of the ligands. This indicates that the CN supports stacking interactions of square planar complexes with the phenyl ring. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.",
publisher = "Versita, Warsaw 41",
journal = "Central European Journal of Chemistry",
title = "Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes",
volume = "5",
number = "1",
pages = "20-31",
doi = "10.2478/s11532-006-0068-3"
}
Sredojević, D. N., Tomić, Z. D.,& Zarić, S. D.. (2007). Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes. in Central European Journal of Chemistry
Versita, Warsaw 41., 5(1), 20-31.
https://doi.org/10.2478/s11532-006-0068-3
Sredojević DN, Tomić ZD, Zarić SD. Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes. in Central European Journal of Chemistry. 2007;5(1):20-31.
doi:10.2478/s11532-006-0068-3 .
Sredojević, Dušan N., Tomić, Zoran D., Zarić, Snežana D., "Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes" in Central European Journal of Chemistry, 5, no. 1 (2007):20-31,
https://doi.org/10.2478/s11532-006-0068-3 . .
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Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit

Tomić, Zoran D.; Kapor, Agnes; Zmiric, Aleksandra; Leovac, Vukadin M.; Zobel, Dieter; Zarić, Snežana D.

(Elsevier Science Sa, Lausanne, 2007)

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Kapor, Agnes
AU  - Zmiric, Aleksandra
AU  - Leovac, Vukadin M.
AU  - Zobel, Dieter
AU  - Zarić, Snežana D.
PY  - 2007
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/830
AB  - Three closely related [MoO(2)(L)(ML)] complexes, where L is the 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone ligand, and ML is EtOH (I), Py (II) and DMSO (III), were synthesized, characterized by NMR and IR spectra, and their X-ray crystal structures were determined. The crystal structure properties of these three closely related complexes were compared. Two cis-Mo-O bond lengths were almost the same in the crystal structure of complexes II and III, while in complex I a significant difference between the two cis-Mo-O bond lengths was observed. At the same time, the geometry of L ligand in complex I is different, compared to II and III. DFT calculations on the isolated molecule I, as well as geometrical analysis of the complexes indicate that intramolecular interactions are not responsible for these structural differences. On the other hand, the pattern of intermolecular contacts in the crystal structure of I differs from those observed in II and III. Analyses indicate that differences in cis-Mo-O bond lengths and in the geometry of ligand L could be related to intermolecular interactions. These results suggest the possibility that in enzymes oxotransferases or in their model systems, the Mo-O bond length could be designed by the interactions of chelate ligands with the surroundings. (C) 2006 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Sa, Lausanne
T2  - Inorganica Chimica Acta
T1  - Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit
VL  - 360
IS  - 7
SP  - 2197
EP  - 2206
DO  - 10.1016/j.ica.2006.10.026
ER  - 
@article{
author = "Tomić, Zoran D. and Kapor, Agnes and Zmiric, Aleksandra and Leovac, Vukadin M. and Zobel, Dieter and Zarić, Snežana D.",
year = "2007",
abstract = "Three closely related [MoO(2)(L)(ML)] complexes, where L is the 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone ligand, and ML is EtOH (I), Py (II) and DMSO (III), were synthesized, characterized by NMR and IR spectra, and their X-ray crystal structures were determined. The crystal structure properties of these three closely related complexes were compared. Two cis-Mo-O bond lengths were almost the same in the crystal structure of complexes II and III, while in complex I a significant difference between the two cis-Mo-O bond lengths was observed. At the same time, the geometry of L ligand in complex I is different, compared to II and III. DFT calculations on the isolated molecule I, as well as geometrical analysis of the complexes indicate that intramolecular interactions are not responsible for these structural differences. On the other hand, the pattern of intermolecular contacts in the crystal structure of I differs from those observed in II and III. Analyses indicate that differences in cis-Mo-O bond lengths and in the geometry of ligand L could be related to intermolecular interactions. These results suggest the possibility that in enzymes oxotransferases or in their model systems, the Mo-O bond length could be designed by the interactions of chelate ligands with the surroundings. (C) 2006 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Inorganica Chimica Acta",
title = "Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit",
volume = "360",
number = "7",
pages = "2197-2206",
doi = "10.1016/j.ica.2006.10.026"
}
Tomić, Z. D., Kapor, A., Zmiric, A., Leovac, V. M., Zobel, D.,& Zarić, S. D.. (2007). Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit. in Inorganica Chimica Acta
Elsevier Science Sa, Lausanne., 360(7), 2197-2206.
https://doi.org/10.1016/j.ica.2006.10.026
Tomić ZD, Kapor A, Zmiric A, Leovac VM, Zobel D, Zarić SD. Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit. in Inorganica Chimica Acta. 2007;360(7):2197-2206.
doi:10.1016/j.ica.2006.10.026 .
Tomić, Zoran D., Kapor, Agnes, Zmiric, Aleksandra, Leovac, Vukadin M., Zobel, Dieter, Zarić, Snežana D., "Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit" in Inorganica Chimica Acta, 360, no. 7 (2007):2197-2206,
https://doi.org/10.1016/j.ica.2006.10.026 . .
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Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes

Sredojević, Dušan N.; Bogdanović, Goran A.; Tomić, Zoran D.; Zarić, Snežana D.

(Royal Soc Chemistry, Cambridge, 2007)

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Bogdanović, Goran A.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2007
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/862
AB  - The crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database (CSD) with close contacts between planar chelate rings and aryl rings containing six carbon atoms (C-6- aryl) were analyzed. Most of the chelate rings in these structures are fused with aromatic or other pi-delocalized chelate rings. The results show that planar chelate rings can be involved in stacking and CH-pi interactions with organic aryl rings. However, the number of stacking interactions is a few times larger than the number of CH-pi interactions. The analysis also shows that in almost all cases CH-pi interactions are formed only when stacking interactions are prevented by voluminous substituents. Hence, between planar chelate rings and C-6- aryl rings stacking interactions are preferred to CH-pi interactions.
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes
VL  - 9
IS  - 9
SP  - 793
EP  - 798
DO  - 10.1039/b704302c
ER  - 
@article{
author = "Sredojević, Dušan N. and Bogdanović, Goran A. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2007",
abstract = "The crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database (CSD) with close contacts between planar chelate rings and aryl rings containing six carbon atoms (C-6- aryl) were analyzed. Most of the chelate rings in these structures are fused with aromatic or other pi-delocalized chelate rings. The results show that planar chelate rings can be involved in stacking and CH-pi interactions with organic aryl rings. However, the number of stacking interactions is a few times larger than the number of CH-pi interactions. The analysis also shows that in almost all cases CH-pi interactions are formed only when stacking interactions are prevented by voluminous substituents. Hence, between planar chelate rings and C-6- aryl rings stacking interactions are preferred to CH-pi interactions.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes",
volume = "9",
number = "9",
pages = "793-798",
doi = "10.1039/b704302c"
}
Sredojević, D. N., Bogdanović, G. A., Tomić, Z. D.,& Zarić, S. D.. (2007). Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes. in CrystEngComm
Royal Soc Chemistry, Cambridge., 9(9), 793-798.
https://doi.org/10.1039/b704302c
Sredojević DN, Bogdanović GA, Tomić ZD, Zarić SD. Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes. in CrystEngComm. 2007;9(9):793-798.
doi:10.1039/b704302c .
Sredojević, Dušan N., Bogdanović, Goran A., Tomić, Zoran D., Zarić, Snežana D., "Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes" in CrystEngComm, 9, no. 9 (2007):793-798,
https://doi.org/10.1039/b704302c . .
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66
63

Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes

Tomić, Zoran D.; Sredojević, Dušan N.; Zarić, Snežana D.

(Amer Chemical Soc, Washington, 2006)

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Sredojević, Dušan N.
AU  - Zarić, Snežana D.
PY  - 2006
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/750
AB  - Analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized pi-bonds. Short distances between the metal and carbon atom of the phenyl ring and parallel orientation of phenyl ring with respect to the coordination plane were found in the crystal strucutres of complexes with chelate rings. There is a correlation of the distances between the centers of chelate and phenyl rings and the metal-carbon distances showing that the chelate and phenyl rings tend to overlap. In the crystal structures, there are mutual slipped-parallel orientations of the phenyl and chelate rings. The data show that the geometry of the stacking interaction between phenyl and chelate rings is similar to the geometry of the stacking interaction of two benzene rings, indicating that chelate rings can behave similarly to organic aromatic rings.
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth and Design
T1  - Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes
VL  - 6
IS  - 1
SP  - 29
EP  - 31
DO  - 10.1021/cg050392r
ER  - 
@article{
author = "Tomić, Zoran D. and Sredojević, Dušan N. and Zarić, Snežana D.",
year = "2006",
abstract = "Analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized pi-bonds. Short distances between the metal and carbon atom of the phenyl ring and parallel orientation of phenyl ring with respect to the coordination plane were found in the crystal strucutres of complexes with chelate rings. There is a correlation of the distances between the centers of chelate and phenyl rings and the metal-carbon distances showing that the chelate and phenyl rings tend to overlap. In the crystal structures, there are mutual slipped-parallel orientations of the phenyl and chelate rings. The data show that the geometry of the stacking interaction between phenyl and chelate rings is similar to the geometry of the stacking interaction of two benzene rings, indicating that chelate rings can behave similarly to organic aromatic rings.",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth and Design",
title = "Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes",
volume = "6",
number = "1",
pages = "29-31",
doi = "10.1021/cg050392r"
}
Tomić, Z. D., Sredojević, D. N.,& Zarić, S. D.. (2006). Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes. in Crystal Growth and Design
Amer Chemical Soc, Washington., 6(1), 29-31.
https://doi.org/10.1021/cg050392r
Tomić ZD, Sredojević DN, Zarić SD. Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes. in Crystal Growth and Design. 2006;6(1):29-31.
doi:10.1021/cg050392r .
Tomić, Zoran D., Sredojević, Dušan N., Zarić, Snežana D., "Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes" in Crystal Growth and Design, 6, no. 1 (2006):29-31,
https://doi.org/10.1021/cg050392r . .
83
80
83
79

Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes

Tomić, Zoran D.; Novaković, Slađana B.; Zarić, Snežana D.

(Wiley-V C H Verlag Gmbh, Weinheim, 2004)

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Novaković, Slađana B.
AU  - Zarić, Snežana D.
PY  - 2004
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/647
AB  - Analysis of the geometrical parameters in crystal structures of square-planar copper(II) complexes from the CSD shows that the short noncovalent copper (II)-phenyl carbon distances are a consequence of the interaction between the phenyl ring and the chelate ring with delocalized pi-bonds. The data show a correlation between the distances between the centers of the chelate and phenyl rings and the copper(II)-carbon distances, as well as a mutual slipped-parallel orientation of the phenyl and chelate rings. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004).
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - European Journal of Inorganic Chemistry
T1  - Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes
IS  - 11
SP  - 2215
EP  - 2218
DO  - 10.1002/ejic.200400086
ER  - 
@article{
author = "Tomić, Zoran D. and Novaković, Slađana B. and Zarić, Snežana D.",
year = "2004",
abstract = "Analysis of the geometrical parameters in crystal structures of square-planar copper(II) complexes from the CSD shows that the short noncovalent copper (II)-phenyl carbon distances are a consequence of the interaction between the phenyl ring and the chelate ring with delocalized pi-bonds. The data show a correlation between the distances between the centers of the chelate and phenyl rings and the copper(II)-carbon distances, as well as a mutual slipped-parallel orientation of the phenyl and chelate rings. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004).",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "European Journal of Inorganic Chemistry",
title = "Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes",
number = "11",
pages = "2215-2218",
doi = "10.1002/ejic.200400086"
}
Tomić, Z. D., Novaković, S. B.,& Zarić, S. D.. (2004). Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes. in European Journal of Inorganic Chemistry
Wiley-V C H Verlag Gmbh, Weinheim.(11), 2215-2218.
https://doi.org/10.1002/ejic.200400086
Tomić ZD, Novaković SB, Zarić SD. Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes. in European Journal of Inorganic Chemistry. 2004;(11):2215-2218.
doi:10.1002/ejic.200400086 .
Tomić, Zoran D., Novaković, Slađana B., Zarić, Snežana D., "Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes" in European Journal of Inorganic Chemistry, no. 11 (2004):2215-2218,
https://doi.org/10.1002/ejic.200400086 . .
58
55
62
53

Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions

Tomić, Zoran D.; Leovac, Vukadin M.; Pokorni, SV; Zobel, D; Zarić, Snežana D.

(Wiley-V C H Verlag Gmbh, Weinheim, 2003)

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Leovac, Vukadin M.
AU  - Pokorni, SV
AU  - Zobel, D
AU  - Zarić, Snežana D.
PY  - 2003
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/544
AB  - In the crystal structure of the bis (acetone-1-naphthoylhydrazinato)copper(II) complex there are interactions of neighbouring molecules via naphthyl groups; the naphthyl group of one molecule interacts with the copper centre and CH3 group of another molecule. The geometry of the crystal structure and dispositions of charges in the naphthyl and chelate rings indicate that there are stacking interactions between the aromatic ring and, not only the copper atom, but also the whole chelate ring. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - European Journal of Inorganic Chemistry
T1  - Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions
IS  - 6
SP  - 1222
EP  - 1226
UR  - https://hdl.handle.net/21.15107/rcub_cherry_544
ER  - 
@article{
author = "Tomić, Zoran D. and Leovac, Vukadin M. and Pokorni, SV and Zobel, D and Zarić, Snežana D.",
year = "2003",
abstract = "In the crystal structure of the bis (acetone-1-naphthoylhydrazinato)copper(II) complex there are interactions of neighbouring molecules via naphthyl groups; the naphthyl group of one molecule interacts with the copper centre and CH3 group of another molecule. The geometry of the crystal structure and dispositions of charges in the naphthyl and chelate rings indicate that there are stacking interactions between the aromatic ring and, not only the copper atom, but also the whole chelate ring. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "European Journal of Inorganic Chemistry",
title = "Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions",
number = "6",
pages = "1222-1226",
url = "https://hdl.handle.net/21.15107/rcub_cherry_544"
}
Tomić, Z. D., Leovac, V. M., Pokorni, S., Zobel, D.,& Zarić, S. D.. (2003). Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions. in European Journal of Inorganic Chemistry
Wiley-V C H Verlag Gmbh, Weinheim.(6), 1222-1226.
https://hdl.handle.net/21.15107/rcub_cherry_544
Tomić ZD, Leovac VM, Pokorni S, Zobel D, Zarić SD. Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions. in European Journal of Inorganic Chemistry. 2003;(6):1222-1226.
https://hdl.handle.net/21.15107/rcub_cherry_544 .
Tomić, Zoran D., Leovac, Vukadin M., Pokorni, SV, Zobel, D, Zarić, Snežana D., "Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions" in European Journal of Inorganic Chemistry, no. 6 (2003):1222-1226,
https://hdl.handle.net/21.15107/rcub_cherry_544 .
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