Poleti, Dejan

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  • Poleti, Dejan (7)
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Author's Bibliography

Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands

Šumar-Ristović, Maja; Gruden-Pavlović, Maja; Zlatar, Matija; Blagojević, Vladimir A.; Anđelković, Katarina K.; Poleti, Dejan; Minić, Dragica M.

(Springer Wien, Wien, 2012)

TY  - JOUR
AU  - Šumar-Ristović, Maja
AU  - Gruden-Pavlović, Maja
AU  - Zlatar, Matija
AU  - Blagojević, Vladimir A.
AU  - Anđelković, Katarina K.
AU  - Poleti, Dejan
AU  - Minić, Dragica M.
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1321
AB  - A Zn(II) complex with N-benzyloxycarbonylglycinato ligands was studied by non-isothermal methods, in particular Kissinger-Akahira-Sunose's method, and further analysis of these results was performed by Vyazovkin's algorithm and an artificial compensation effect. Density functional theory calculations of thermodynamic quantities were performed, and results obtained by both methods are consistent, thus clarifying the mechanism of this very interesting multi-step degradation.
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands
VL  - 143
IS  - 8
SP  - 1133
EP  - 1139
DO  - 10.1007/s00706-012-0793-6
ER  - 
@article{
author = "Šumar-Ristović, Maja and Gruden-Pavlović, Maja and Zlatar, Matija and Blagojević, Vladimir A. and Anđelković, Katarina K. and Poleti, Dejan and Minić, Dragica M.",
year = "2012",
abstract = "A Zn(II) complex with N-benzyloxycarbonylglycinato ligands was studied by non-isothermal methods, in particular Kissinger-Akahira-Sunose's method, and further analysis of these results was performed by Vyazovkin's algorithm and an artificial compensation effect. Density functional theory calculations of thermodynamic quantities were performed, and results obtained by both methods are consistent, thus clarifying the mechanism of this very interesting multi-step degradation.",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands",
volume = "143",
number = "8",
pages = "1133-1139",
doi = "10.1007/s00706-012-0793-6"
}
Šumar-Ristović, M., Gruden-Pavlović, M., Zlatar, M., Blagojević, V. A., Anđelković, K. K., Poleti, D.,& Minić, D. M.. (2012). Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands. in Monatshefte Fur Chemie
Springer Wien, Wien., 143(8), 1133-1139.
https://doi.org/10.1007/s00706-012-0793-6
Šumar-Ristović M, Gruden-Pavlović M, Zlatar M, Blagojević VA, Anđelković KK, Poleti D, Minić DM. Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands. in Monatshefte Fur Chemie. 2012;143(8):1133-1139.
doi:10.1007/s00706-012-0793-6 .
Šumar-Ristović, Maja, Gruden-Pavlović, Maja, Zlatar, Matija, Blagojević, Vladimir A., Anđelković, Katarina K., Poleti, Dejan, Minić, Dragica M., "Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands" in Monatshefte Fur Chemie, 143, no. 8 (2012):1133-1139,
https://doi.org/10.1007/s00706-012-0793-6 . .
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Kinetics and mechanism of degradation of Co(II)-N-benzyloxycarbonylglycinato complex

Minić, Dragica M.; Šumar-Ristović, Maja; Miodragović Đenana U.; Anđelković, Katarina K.; Poleti, Dejan

(Springer, Dordrecht, 2012)

TY  - JOUR
AU  - Minić, Dragica M.
AU  - Šumar-Ristović, Maja
AU  - Miodragović Đenana U.
AU  - Anđelković, Katarina K.
AU  - Poleti, Dejan
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1277
AB  - The kinetics of multi-step thermal degradation of Co(II) complex with N-benzyloxycarbonyl glycinato ligand [Co(N-Boc-gly)(2)(H2O)(4)]center dot 2H(2)O, in non-isothermal conditions was studied using isoconversional and non-isoconversional methods. The degradation of complex occurs in three well-separated steps involving the loss of water molecules in first step followed by two degradation steps of dehydrated complex. The dependence of Arrhenius parameters on conversion degree showed that all observed steps of thermal degradation are very complex, involving more than one elementary step, as can be expected for most solid-state heterogeneous reactions with solid reactants and solid and gaseous products. It was shown that step 1, corresponding to the dehydration, involves a series of competitive dehydration steps of differently bound water molecules complicated by diffusion. Second step involves two parallel reactions related to the loss of two identical C6H5CH2O-ligand fragments complicated by the presence of products in gaseous state. Further degradation in step 3 corresponds to complex process with a change in the limiting stage, in this case from the kinetic to the diffusion regime, connected with the presence of gaseous products diffusing through the solid product.
PB  - Springer, Dordrecht
T2  - Journal of Thermal Analysis and Calorimetry
T1  - Kinetics and mechanism of degradation of Co(II)-N-benzyloxycarbonylglycinato complex
VL  - 107
IS  - 3
SP  - 1167
EP  - 1176
DO  - 10.1007/s10973-011-1368-1
ER  - 
@article{
author = "Minić, Dragica M. and Šumar-Ristović, Maja and Miodragović Đenana U. and Anđelković, Katarina K. and Poleti, Dejan",
year = "2012",
abstract = "The kinetics of multi-step thermal degradation of Co(II) complex with N-benzyloxycarbonyl glycinato ligand [Co(N-Boc-gly)(2)(H2O)(4)]center dot 2H(2)O, in non-isothermal conditions was studied using isoconversional and non-isoconversional methods. The degradation of complex occurs in three well-separated steps involving the loss of water molecules in first step followed by two degradation steps of dehydrated complex. The dependence of Arrhenius parameters on conversion degree showed that all observed steps of thermal degradation are very complex, involving more than one elementary step, as can be expected for most solid-state heterogeneous reactions with solid reactants and solid and gaseous products. It was shown that step 1, corresponding to the dehydration, involves a series of competitive dehydration steps of differently bound water molecules complicated by diffusion. Second step involves two parallel reactions related to the loss of two identical C6H5CH2O-ligand fragments complicated by the presence of products in gaseous state. Further degradation in step 3 corresponds to complex process with a change in the limiting stage, in this case from the kinetic to the diffusion regime, connected with the presence of gaseous products diffusing through the solid product.",
publisher = "Springer, Dordrecht",
journal = "Journal of Thermal Analysis and Calorimetry",
title = "Kinetics and mechanism of degradation of Co(II)-N-benzyloxycarbonylglycinato complex",
volume = "107",
number = "3",
pages = "1167-1176",
doi = "10.1007/s10973-011-1368-1"
}
Minić, D. M., Šumar-Ristović, M., Miodragović Đenana U., Anđelković, K. K.,& Poleti, D.. (2012). Kinetics and mechanism of degradation of Co(II)-N-benzyloxycarbonylglycinato complex. in Journal of Thermal Analysis and Calorimetry
Springer, Dordrecht., 107(3), 1167-1176.
https://doi.org/10.1007/s10973-011-1368-1
Minić DM, Šumar-Ristović M, Miodragović Đenana U., Anđelković KK, Poleti D. Kinetics and mechanism of degradation of Co(II)-N-benzyloxycarbonylglycinato complex. in Journal of Thermal Analysis and Calorimetry. 2012;107(3):1167-1176.
doi:10.1007/s10973-011-1368-1 .
Minić, Dragica M., Šumar-Ristović, Maja, Miodragović Đenana U., Anđelković, Katarina K., Poleti, Dejan, "Kinetics and mechanism of degradation of Co(II)-N-benzyloxycarbonylglycinato complex" in Journal of Thermal Analysis and Calorimetry, 107, no. 3 (2012):1167-1176,
https://doi.org/10.1007/s10973-011-1368-1 . .
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Crystal structure of (Bi0.94Sb1.06)S-3 and reconsideration of cation distribution over mixed sites in the bismuthinitestibnite solid-solution series

Poleti, Dejan; Karanovic, Ljiljana; Balic-Zunic, Tonci; Gržetić, Ivan

(E Schweizerbartsche Verlagsbuchhandlung, Stuttgart, 2012)

TY  - JOUR
AU  - Poleti, Dejan
AU  - Karanovic, Ljiljana
AU  - Balic-Zunic, Tonci
AU  - Gržetić, Ivan
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1290
AB  - The intermediate member of the (Bi,Sb)(2)S-3 solid-solution series was prepared by dry synthesis at low temperature (200 degrees C) with a long annealing period in sealed silica tube. The EDS analysis yielded an empirical formula (Bi0.96Sb1.04)S-3, which is very close to the formula (Bi0.94Sb1.06)S-3 obtained by crystal structure analysis. The crystal structure was refined to the R-factors: R-1 = 0.0288 for I  gt  2 sigma(I) and wR(2) = 0.0542 for all data. (Bi0.94Sb1.06)S-3 has orthorhombic symmetry with space group Pnma (No. 62). The asymmetric unit contains two independent mixed cation sites, both coordinated to seven S atoms in a form of mono-capped trigonal prism. They combine into infinite (M4S6)(n) rods parallel to the [010] direction with only weak interactions between rods where the lone electron pairs are directed. Our data and the revaluation of previous data resolve a controversy about the distribution of Sb and Bi over the two structural sites which exists in previously published works. It is shown that the structural constraints favour a slight preference of the larger cation for the marginal M1 site over the whole span of the solid-solution series. The unit cell parameters show a deviation form the Vegard's law connected with different rates of the parallel increase of lengths of the strong bonds and the decreasing influence of the lone electron pair with the replacement of Sb by Bi. The changes in the character of the two independent cation sites introduced by this replacement are similar to those produced during compression of Sb2S3.
PB  - E Schweizerbartsche Verlagsbuchhandlung, Stuttgart
T2  - Neues Jahrbuch Fur Mineralogie. Abhandlungen
T1  - Crystal structure of (Bi0.94Sb1.06)S-3 and reconsideration of cation distribution over mixed sites in the bismuthinitestibnite solid-solution series
VL  - 189
IS  - 2
SP  - 177
EP  - 187
DO  - 10.1127/0077-7757/2012/0217
ER  - 
@article{
author = "Poleti, Dejan and Karanovic, Ljiljana and Balic-Zunic, Tonci and Gržetić, Ivan",
year = "2012",
abstract = "The intermediate member of the (Bi,Sb)(2)S-3 solid-solution series was prepared by dry synthesis at low temperature (200 degrees C) with a long annealing period in sealed silica tube. The EDS analysis yielded an empirical formula (Bi0.96Sb1.04)S-3, which is very close to the formula (Bi0.94Sb1.06)S-3 obtained by crystal structure analysis. The crystal structure was refined to the R-factors: R-1 = 0.0288 for I  gt  2 sigma(I) and wR(2) = 0.0542 for all data. (Bi0.94Sb1.06)S-3 has orthorhombic symmetry with space group Pnma (No. 62). The asymmetric unit contains two independent mixed cation sites, both coordinated to seven S atoms in a form of mono-capped trigonal prism. They combine into infinite (M4S6)(n) rods parallel to the [010] direction with only weak interactions between rods where the lone electron pairs are directed. Our data and the revaluation of previous data resolve a controversy about the distribution of Sb and Bi over the two structural sites which exists in previously published works. It is shown that the structural constraints favour a slight preference of the larger cation for the marginal M1 site over the whole span of the solid-solution series. The unit cell parameters show a deviation form the Vegard's law connected with different rates of the parallel increase of lengths of the strong bonds and the decreasing influence of the lone electron pair with the replacement of Sb by Bi. The changes in the character of the two independent cation sites introduced by this replacement are similar to those produced during compression of Sb2S3.",
publisher = "E Schweizerbartsche Verlagsbuchhandlung, Stuttgart",
journal = "Neues Jahrbuch Fur Mineralogie. Abhandlungen",
title = "Crystal structure of (Bi0.94Sb1.06)S-3 and reconsideration of cation distribution over mixed sites in the bismuthinitestibnite solid-solution series",
volume = "189",
number = "2",
pages = "177-187",
doi = "10.1127/0077-7757/2012/0217"
}
Poleti, D., Karanovic, L., Balic-Zunic, T.,& Gržetić, I.. (2012). Crystal structure of (Bi0.94Sb1.06)S-3 and reconsideration of cation distribution over mixed sites in the bismuthinitestibnite solid-solution series. in Neues Jahrbuch Fur Mineralogie. Abhandlungen
E Schweizerbartsche Verlagsbuchhandlung, Stuttgart., 189(2), 177-187.
https://doi.org/10.1127/0077-7757/2012/0217
Poleti D, Karanovic L, Balic-Zunic T, Gržetić I. Crystal structure of (Bi0.94Sb1.06)S-3 and reconsideration of cation distribution over mixed sites in the bismuthinitestibnite solid-solution series. in Neues Jahrbuch Fur Mineralogie. Abhandlungen. 2012;189(2):177-187.
doi:10.1127/0077-7757/2012/0217 .
Poleti, Dejan, Karanovic, Ljiljana, Balic-Zunic, Tonci, Gržetić, Ivan, "Crystal structure of (Bi0.94Sb1.06)S-3 and reconsideration of cation distribution over mixed sites in the bismuthinitestibnite solid-solution series" in Neues Jahrbuch Fur Mineralogie. Abhandlungen, 189, no. 2 (2012):177-187,
https://doi.org/10.1127/0077-7757/2012/0217 . .
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Thermal degradation of coordination polymer [Cd(N-Boc-gly)(2)(H2O)(2)](n)

Šumar-Ristović, Maja; Anđelković, Katarina K.; Poleti, Dejan; Minić, Dragica M.

(Elsevier Science Bv, Amsterdam, 2011)

TY  - JOUR
AU  - Šumar-Ristović, Maja
AU  - Anđelković, Katarina K.
AU  - Poleti, Dejan
AU  - Minić, Dragica M.
PY  - 2011
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1217
AB  - Multi-step thermal degradation of coordination polymer [Cd(N-Boc-gly)(2)(H2O)(2)](n) in non-isothermal conditions was studied. The kinetic parameters were determined from the thermal decomposition data using the isoconversion and non-isoconversion techniques. It was shown that the coordination polymer is stable up to 60 C, when the multi-step process of thermal dehydration, followed by steps of degradation, starts. The kinetic triplet for the step of dehydration was established as f(alpha) = 3/2(1 - alpha)(2/3)[1 - (1 - alpha)(1/3)](-1). E-inv = 170.4 +/- 6.4 kJ mol(-1) and Z(inv) =2.6 x 10(23). The established kinetic model, known as "D3 model", was confirmed by application criteria defined by Malek, Perez-Maqueda et al. as well as Master plot method. Dehydration step is followed by two steps of dehydrated coordination polymer degradation. On the base of the dependence of Arrhenius parameters (E-a and Z) on conversion degree (alpha), the mechanisms of degradation were discussed. In this way it was shown that second and third steps of degradation of coordination polymer are complex involving more than one elementary step. The second step corresponds to the loss of two C6H5CH2O- fragments in two parallel steps. The third step of degradation, ascribed to the loss of two -C(=O)NHCH2- fragments, is complicated by changing kinetically to diffusion control. (C) 2011 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Bv, Amsterdam
T2  - Thermochimica Acta
T1  - Thermal degradation of coordination polymer [Cd(N-Boc-gly)(2)(H2O)(2)](n)
VL  - 525
IS  - 1-2
SP  - 25
EP  - 30
DO  - 10.1016/j.tca.2011.07.017
ER  - 
@article{
author = "Šumar-Ristović, Maja and Anđelković, Katarina K. and Poleti, Dejan and Minić, Dragica M.",
year = "2011",
abstract = "Multi-step thermal degradation of coordination polymer [Cd(N-Boc-gly)(2)(H2O)(2)](n) in non-isothermal conditions was studied. The kinetic parameters were determined from the thermal decomposition data using the isoconversion and non-isoconversion techniques. It was shown that the coordination polymer is stable up to 60 C, when the multi-step process of thermal dehydration, followed by steps of degradation, starts. The kinetic triplet for the step of dehydration was established as f(alpha) = 3/2(1 - alpha)(2/3)[1 - (1 - alpha)(1/3)](-1). E-inv = 170.4 +/- 6.4 kJ mol(-1) and Z(inv) =2.6 x 10(23). The established kinetic model, known as "D3 model", was confirmed by application criteria defined by Malek, Perez-Maqueda et al. as well as Master plot method. Dehydration step is followed by two steps of dehydrated coordination polymer degradation. On the base of the dependence of Arrhenius parameters (E-a and Z) on conversion degree (alpha), the mechanisms of degradation were discussed. In this way it was shown that second and third steps of degradation of coordination polymer are complex involving more than one elementary step. The second step corresponds to the loss of two C6H5CH2O- fragments in two parallel steps. The third step of degradation, ascribed to the loss of two -C(=O)NHCH2- fragments, is complicated by changing kinetically to diffusion control. (C) 2011 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Thermochimica Acta",
title = "Thermal degradation of coordination polymer [Cd(N-Boc-gly)(2)(H2O)(2)](n)",
volume = "525",
number = "1-2",
pages = "25-30",
doi = "10.1016/j.tca.2011.07.017"
}
Šumar-Ristović, M., Anđelković, K. K., Poleti, D.,& Minić, D. M.. (2011). Thermal degradation of coordination polymer [Cd(N-Boc-gly)(2)(H2O)(2)](n). in Thermochimica Acta
Elsevier Science Bv, Amsterdam., 525(1-2), 25-30.
https://doi.org/10.1016/j.tca.2011.07.017
Šumar-Ristović M, Anđelković KK, Poleti D, Minić DM. Thermal degradation of coordination polymer [Cd(N-Boc-gly)(2)(H2O)(2)](n). in Thermochimica Acta. 2011;525(1-2):25-30.
doi:10.1016/j.tca.2011.07.017 .
Šumar-Ristović, Maja, Anđelković, Katarina K., Poleti, Dejan, Minić, Dragica M., "Thermal degradation of coordination polymer [Cd(N-Boc-gly)(2)(H2O)(2)](n)" in Thermochimica Acta, 525, no. 1-2 (2011):25-30,
https://doi.org/10.1016/j.tca.2011.07.017 . .
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Thermal stability and degradation of Co(II), Cd(II), and Zn(II) complexes with N-benzyloxycarbonylglycinato ligand

Šumar-Ristović, Maja; Minić, Dragica M.; Poleti, Dejan; Miodragović, Zoran; Miodragović Đenana U.; Anđelković, Katarina K.

(Springer, Dordrecht, 2010)

TY  - JOUR
AU  - Šumar-Ristović, Maja
AU  - Minić, Dragica M.
AU  - Poleti, Dejan
AU  - Miodragović, Zoran
AU  - Miodragović Đenana U.
AU  - Anđelković, Katarina K.
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1117
AB  - Thermal behavior of Co(II), Cd(II), and Zn(II) complexes with N-benzyloxycarbonylglycinato ligand was investigated using the results of TG, DSC and DTG analysis obtained at different heating rates (2.5 to 30 A degrees C min(-1)), from room temperature to about 900 A degrees C. Mechanisms of complex degradation, as well as enthalpies of the degradation processes were determined. It is shown that thermal stability of investigated complexes correlates with their crystal structures, especially with the presence of crystallization and coordinated water molecules. The values of dehydration enthalpies are discussed and correlated with composition of the complexes. Kissinger's, Ozawa's, and Friedman's isoconversion methods were used for the determination of kinetic parameters: the pre-exponential factor A and the apparent activation energy E (a). For all three complexes and all steps of degradation, the values of kinetics parameters obtained by Kissinger's and Ozawa's methods are in good agreement. The results obtained by Friedman's method showed that some decomposition steps are simple and some others are complex ones.
PB  - Springer, Dordrecht
T2  - Journal of Thermal Analysis and Calorimetry
T1  - Thermal stability and degradation of Co(II), Cd(II), and Zn(II) complexes with N-benzyloxycarbonylglycinato ligand
VL  - 102
IS  - 1
SP  - 83
EP  - 90
DO  - 10.1007/s10973-010-0748-2
ER  - 
@article{
author = "Šumar-Ristović, Maja and Minić, Dragica M. and Poleti, Dejan and Miodragović, Zoran and Miodragović Đenana U. and Anđelković, Katarina K.",
year = "2010",
abstract = "Thermal behavior of Co(II), Cd(II), and Zn(II) complexes with N-benzyloxycarbonylglycinato ligand was investigated using the results of TG, DSC and DTG analysis obtained at different heating rates (2.5 to 30 A degrees C min(-1)), from room temperature to about 900 A degrees C. Mechanisms of complex degradation, as well as enthalpies of the degradation processes were determined. It is shown that thermal stability of investigated complexes correlates with their crystal structures, especially with the presence of crystallization and coordinated water molecules. The values of dehydration enthalpies are discussed and correlated with composition of the complexes. Kissinger's, Ozawa's, and Friedman's isoconversion methods were used for the determination of kinetic parameters: the pre-exponential factor A and the apparent activation energy E (a). For all three complexes and all steps of degradation, the values of kinetics parameters obtained by Kissinger's and Ozawa's methods are in good agreement. The results obtained by Friedman's method showed that some decomposition steps are simple and some others are complex ones.",
publisher = "Springer, Dordrecht",
journal = "Journal of Thermal Analysis and Calorimetry",
title = "Thermal stability and degradation of Co(II), Cd(II), and Zn(II) complexes with N-benzyloxycarbonylglycinato ligand",
volume = "102",
number = "1",
pages = "83-90",
doi = "10.1007/s10973-010-0748-2"
}
Šumar-Ristović, M., Minić, D. M., Poleti, D., Miodragović, Z., Miodragović Đenana U.,& Anđelković, K. K.. (2010). Thermal stability and degradation of Co(II), Cd(II), and Zn(II) complexes with N-benzyloxycarbonylglycinato ligand. in Journal of Thermal Analysis and Calorimetry
Springer, Dordrecht., 102(1), 83-90.
https://doi.org/10.1007/s10973-010-0748-2
Šumar-Ristović M, Minić DM, Poleti D, Miodragović Z, Miodragović Đenana U., Anđelković KK. Thermal stability and degradation of Co(II), Cd(II), and Zn(II) complexes with N-benzyloxycarbonylglycinato ligand. in Journal of Thermal Analysis and Calorimetry. 2010;102(1):83-90.
doi:10.1007/s10973-010-0748-2 .
Šumar-Ristović, Maja, Minić, Dragica M., Poleti, Dejan, Miodragović, Zoran, Miodragović Đenana U., Anđelković, Katarina K., "Thermal stability and degradation of Co(II), Cd(II), and Zn(II) complexes with N-benzyloxycarbonylglycinato ligand" in Journal of Thermal Analysis and Calorimetry, 102, no. 1 (2010):83-90,
https://doi.org/10.1007/s10973-010-0748-2 . .
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Two new examples of very short thallium-transition metal contacts: Tl(3)Ag(3)Sb(2)S(6) and Tl(3)Ag(3)As(2)S(6)

Karanovic, Ljiljana; Poleti, Dejan; Balic-Zunic, Tonci; Makovicky, Emil; Gržetić, Ivan

(Elsevier Science Sa, Lausanne, 2008)

TY  - JOUR
AU  - Karanovic, Ljiljana
AU  - Poleti, Dejan
AU  - Balic-Zunic, Tonci
AU  - Makovicky, Emil
AU  - Gržetić, Ivan
PY  - 2008
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/937
AB  - Two new sulphosalts Tl(3)Ag(3)Sb(2)S(6), (1) and Tl(3)Ag(3)AS(2)S(6), (2) were prepared in reaction of synthetic binary sulfides: argentite (Ag(2)S), carlinite (Tl(2)S) and orpiment (As(2)O(3)) or stibnite (Sb(2)S(3)), and their crystal structures have been determined using single-crystal data. The compounds are isostructural and crystallize in the space group P2(1)/C (Z = 4), with a = 11.6854(17) angstrom, b = 11.8602(17) angstrom, c = 12.1294(18) angstrom, beta = 123.356(2)degrees, V = 1404.1(4) angstrom(3) for 1, and a = 11.4415(14) angstrom, b = 11.7530(15) angstrom, c = 11.9880(16) angstrom, beta = 123.516(3)degrees, V= 1344.0(3) angstrom(3) for2. Refinements involving anisotropic displacement parameters for all atoms converged to the conventional R-factors: R(1) = 0.0496 for 1 and R(1) = 0.0372 for 2. The structures consist of two kinds of slabs alternately situated along [1 0 0] direction and sharing S atoms located between them. The first slab is built up of Tl1S(8), Tl(2)S(6), Tl(3)S(5)Ag(3) coordination polyhedra and Ag(3)S(3)n(3) distorted trigonal pyramid (the average  lt  Ag(3)-S  gt  distance is 2.542 for 1 and 2.539 angstrom for 2) combined with trigonal Sb1S(3) or As1S(3) coordination pyramids ( lt  Sb1-S  gt  and  lt  As1-S  gt  are 2.438 and 2.259 angstrom, respectively). The thallium atom Tl1 is surrounded by eight S atoms forming a square anti-prism ( lt  Tl1-S  gt : 3.393 for 1 and 3.356 angstrom for 2), while the coordination polyhedron of Tl2 can be described as a significantly distorted trigonal prism or as an extremely distorted octahedron ( lt  Tl2-S  gt : 3.236 angstrom for 1 and 3.238 angstrom for 2). Thallium Tl3 is surrounded by six atoms (one Ag, four S at shorter and one S at longer distance), which form a distorted trigonal prism ( lt  Tl3-S  gt : 3.165 angstrom in 1 and 3.155 angstrom in 2). The second slab consists of trigonal Sb(2)S(3) or As(2)S(3) coordination pyramids combined with Ag1S(4) and Ag(2)S(4) coordination tetrahedra ( lt  Sb2-S  gt  and  lt  As2-S  gt  are 2.433 and 2.251 angstrom, respectively;  lt  Ag1-S  gt : 2.623 angstrom for 1 and 2.612 A for 2;  lt  Ag2-S  gt : 2.623 angstrom for 1 and 2.630 angstrom for 2). The most interesting feature of both structures is the existence of short Tl3-Ag(3) contacts of 2.959(2) angstrom in 1 and 2.922(1) angstrom in 2. These contacts are the shortest found so far and indicate very strong Tl-Ag interactions. They are discussed in terms of metallophilicity principle and relativistic effects. It is also pointed out that if only valence shell electrons are considered (Tl-Ag)(2+) group is isoelectronic with the (Hg-Hg)(2+) ion, therefore new examples of short Tl-Ag contacts could be expected. (C) 2007 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Sa, Lausanne
T2  - Journal of Alloys and Compounds
T1  - Two new examples of very short thallium-transition metal contacts: Tl(3)Ag(3)Sb(2)S(6) and Tl(3)Ag(3)As(2)S(6)
VL  - 457
IS  - 1-2
SP  - 66
EP  - 74
DO  - 10.1016/j.jallcom.2007.03.014
ER  - 
@article{
author = "Karanovic, Ljiljana and Poleti, Dejan and Balic-Zunic, Tonci and Makovicky, Emil and Gržetić, Ivan",
year = "2008",
abstract = "Two new sulphosalts Tl(3)Ag(3)Sb(2)S(6), (1) and Tl(3)Ag(3)AS(2)S(6), (2) were prepared in reaction of synthetic binary sulfides: argentite (Ag(2)S), carlinite (Tl(2)S) and orpiment (As(2)O(3)) or stibnite (Sb(2)S(3)), and their crystal structures have been determined using single-crystal data. The compounds are isostructural and crystallize in the space group P2(1)/C (Z = 4), with a = 11.6854(17) angstrom, b = 11.8602(17) angstrom, c = 12.1294(18) angstrom, beta = 123.356(2)degrees, V = 1404.1(4) angstrom(3) for 1, and a = 11.4415(14) angstrom, b = 11.7530(15) angstrom, c = 11.9880(16) angstrom, beta = 123.516(3)degrees, V= 1344.0(3) angstrom(3) for2. Refinements involving anisotropic displacement parameters for all atoms converged to the conventional R-factors: R(1) = 0.0496 for 1 and R(1) = 0.0372 for 2. The structures consist of two kinds of slabs alternately situated along [1 0 0] direction and sharing S atoms located between them. The first slab is built up of Tl1S(8), Tl(2)S(6), Tl(3)S(5)Ag(3) coordination polyhedra and Ag(3)S(3)n(3) distorted trigonal pyramid (the average  lt  Ag(3)-S  gt  distance is 2.542 for 1 and 2.539 angstrom for 2) combined with trigonal Sb1S(3) or As1S(3) coordination pyramids ( lt  Sb1-S  gt  and  lt  As1-S  gt  are 2.438 and 2.259 angstrom, respectively). The thallium atom Tl1 is surrounded by eight S atoms forming a square anti-prism ( lt  Tl1-S  gt : 3.393 for 1 and 3.356 angstrom for 2), while the coordination polyhedron of Tl2 can be described as a significantly distorted trigonal prism or as an extremely distorted octahedron ( lt  Tl2-S  gt : 3.236 angstrom for 1 and 3.238 angstrom for 2). Thallium Tl3 is surrounded by six atoms (one Ag, four S at shorter and one S at longer distance), which form a distorted trigonal prism ( lt  Tl3-S  gt : 3.165 angstrom in 1 and 3.155 angstrom in 2). The second slab consists of trigonal Sb(2)S(3) or As(2)S(3) coordination pyramids combined with Ag1S(4) and Ag(2)S(4) coordination tetrahedra ( lt  Sb2-S  gt  and  lt  As2-S  gt  are 2.433 and 2.251 angstrom, respectively;  lt  Ag1-S  gt : 2.623 angstrom for 1 and 2.612 A for 2;  lt  Ag2-S  gt : 2.623 angstrom for 1 and 2.630 angstrom for 2). The most interesting feature of both structures is the existence of short Tl3-Ag(3) contacts of 2.959(2) angstrom in 1 and 2.922(1) angstrom in 2. These contacts are the shortest found so far and indicate very strong Tl-Ag interactions. They are discussed in terms of metallophilicity principle and relativistic effects. It is also pointed out that if only valence shell electrons are considered (Tl-Ag)(2+) group is isoelectronic with the (Hg-Hg)(2+) ion, therefore new examples of short Tl-Ag contacts could be expected. (C) 2007 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Journal of Alloys and Compounds",
title = "Two new examples of very short thallium-transition metal contacts: Tl(3)Ag(3)Sb(2)S(6) and Tl(3)Ag(3)As(2)S(6)",
volume = "457",
number = "1-2",
pages = "66-74",
doi = "10.1016/j.jallcom.2007.03.014"
}
Karanovic, L., Poleti, D., Balic-Zunic, T., Makovicky, E.,& Gržetić, I.. (2008). Two new examples of very short thallium-transition metal contacts: Tl(3)Ag(3)Sb(2)S(6) and Tl(3)Ag(3)As(2)S(6). in Journal of Alloys and Compounds
Elsevier Science Sa, Lausanne., 457(1-2), 66-74.
https://doi.org/10.1016/j.jallcom.2007.03.014
Karanovic L, Poleti D, Balic-Zunic T, Makovicky E, Gržetić I. Two new examples of very short thallium-transition metal contacts: Tl(3)Ag(3)Sb(2)S(6) and Tl(3)Ag(3)As(2)S(6). in Journal of Alloys and Compounds. 2008;457(1-2):66-74.
doi:10.1016/j.jallcom.2007.03.014 .
Karanovic, Ljiljana, Poleti, Dejan, Balic-Zunic, Tonci, Makovicky, Emil, Gržetić, Ivan, "Two new examples of very short thallium-transition metal contacts: Tl(3)Ag(3)Sb(2)S(6) and Tl(3)Ag(3)As(2)S(6)" in Journal of Alloys and Compounds, 457, no. 1-2 (2008):66-74,
https://doi.org/10.1016/j.jallcom.2007.03.014 . .
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Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-kappa P)-S-methyl-1-(4-oxidopent-3-en-4-ylidene-kappa O)-thiosemicarbazido-kappa(2) N-1, N-4]nickel (II)

Draskovic, Bojana M.; Bogdanović, Goran A.; Leovac, Vukadin M.; Brčeski, Ilija; Poleti, Dejan

(Int Union Crystallography, Chester, 2006)

TY  - JOUR
AU  - Draskovic, Bojana M.
AU  - Bogdanović, Goran A.
AU  - Leovac, Vukadin M.
AU  - Brčeski, Ilija
AU  - Poleti, Dejan
PY  - 2006
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/785
AB  - The title compound, [Ni(C28H30N3O2PS)], crystallizes with two independent molecules in the asymmetric unit. The Ni-II atoms are in significantly deformed square-planar environments formed by an ONNP donor set from a thiosemicarbazide-based tetradentate ligand. The Ni-II atom and the ONN donor atoms are nearly coplanar, while the P atom deviates from their mean planes by 0.278 (4) and 0.202 (4) angstrom for the two independent molecules. The P-containing chelate rings are remarkably non-planar, adopting a boat conformation, which is unusual for chelate rings in transition metal complexes with thiosemicarbazide-based tetradentate ligands. The orientation of the ethoxy group bonded to this chelate ring is caused by an intramolecular C-H center dot center dot center dot pi interaction with the opposing phenyl ring. There are no hydrogen bonds; instead, numerous intermolecular C-H center dot center dot center dot pi interactions dominate in the crystal packing.
PB  - Int Union Crystallography, Chester
T2  - ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
T1  - Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-kappa P)-S-methyl-1-(4-oxidopent-3-en-4-ylidene-kappa O)-thiosemicarbazido-kappa(2) N-1, N-4]nickel (II)
VL  - 62
IS  - 7
DO  - 10.1107/S0108270106018932
ER  - 
@article{
author = "Draskovic, Bojana M. and Bogdanović, Goran A. and Leovac, Vukadin M. and Brčeski, Ilija and Poleti, Dejan",
year = "2006",
abstract = "The title compound, [Ni(C28H30N3O2PS)], crystallizes with two independent molecules in the asymmetric unit. The Ni-II atoms are in significantly deformed square-planar environments formed by an ONNP donor set from a thiosemicarbazide-based tetradentate ligand. The Ni-II atom and the ONN donor atoms are nearly coplanar, while the P atom deviates from their mean planes by 0.278 (4) and 0.202 (4) angstrom for the two independent molecules. The P-containing chelate rings are remarkably non-planar, adopting a boat conformation, which is unusual for chelate rings in transition metal complexes with thiosemicarbazide-based tetradentate ligands. The orientation of the ethoxy group bonded to this chelate ring is caused by an intramolecular C-H center dot center dot center dot pi interaction with the opposing phenyl ring. There are no hydrogen bonds; instead, numerous intermolecular C-H center dot center dot center dot pi interactions dominate in the crystal packing.",
publisher = "Int Union Crystallography, Chester",
journal = "ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY",
title = "Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-kappa P)-S-methyl-1-(4-oxidopent-3-en-4-ylidene-kappa O)-thiosemicarbazido-kappa(2) N-1, N-4]nickel (II)",
volume = "62",
number = "7",
doi = "10.1107/S0108270106018932"
}
Draskovic, B. M., Bogdanović, G. A., Leovac, V. M., Brčeski, I.,& Poleti, D.. (2006). Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-kappa P)-S-methyl-1-(4-oxidopent-3-en-4-ylidene-kappa O)-thiosemicarbazido-kappa(2) N-1, N-4]nickel (II). in ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
Int Union Crystallography, Chester., 62(7).
https://doi.org/10.1107/S0108270106018932
Draskovic BM, Bogdanović GA, Leovac VM, Brčeski I, Poleti D. Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-kappa P)-S-methyl-1-(4-oxidopent-3-en-4-ylidene-kappa O)-thiosemicarbazido-kappa(2) N-1, N-4]nickel (II). in ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY. 2006;62(7).
doi:10.1107/S0108270106018932 .
Draskovic, Bojana M., Bogdanović, Goran A., Leovac, Vukadin M., Brčeski, Ilija, Poleti, Dejan, "Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-kappa P)-S-methyl-1-(4-oxidopent-3-en-4-ylidene-kappa O)-thiosemicarbazido-kappa(2) N-1, N-4]nickel (II)" in ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 62, no. 7 (2006),
https://doi.org/10.1107/S0108270106018932 . .
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