Deutscher Akademischer Austauschdienst (DAAD) [504 252 70]

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Deutscher Akademischer Austauschdienst (DAAD) [504 252 70]

Authors

Publications

2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry

Džambaski, Zdravko; Marković, Rade; Kleinpeter, Erich; Baranac-Stojanović, Marija

(Pergamon-Elsevier Science Ltd, Oxford, 2013)

TY  - JOUR
AU  - Džambaski, Zdravko
AU  - Marković, Rade
AU  - Kleinpeter, Erich
AU  - Baranac-Stojanović, Marija
PY  - 2013
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/1371
AB  - A series of 5-unsubstituted and 5-substituted 2-alkylidene-4-oxothiazolidine-S-oxides were synthesized by the sulfur-oxidation with m-CPBA. The stereochemistry of 5-substituted sulfoxides was determined by means of NMR spectroscopy and DFT theoretical calculations. It was found that the thermodynamically less stable anti-isomer was initially formed in the course of the oxidation, but it underwent epimerization to the mixture enriched in the more stable syn-isomer, during the work-up process. The higher stability of syn-isomers is ascribed to the stronger hyperconjugative sigma(C-H)- gt sigma*(S-O) interaction versus the weaker sigma(C-C)- gt sigma*(S-O) delocalization in their anti-counterparts and to the existence of intramolecular 1,5-CH center dot center dot center dot C hydrogen bonds.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron
T1  - 2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry
VL  - 69
IS  - 31
SP  - 6436
EP  - 6447
DO  - 10.1016/j.tet.2013.05.087
ER  - 
@article{
author = "Džambaski, Zdravko and Marković, Rade and Kleinpeter, Erich and Baranac-Stojanović, Marija",
year = "2013",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/1371",
abstract = "A series of 5-unsubstituted and 5-substituted 2-alkylidene-4-oxothiazolidine-S-oxides were synthesized by the sulfur-oxidation with m-CPBA. The stereochemistry of 5-substituted sulfoxides was determined by means of NMR spectroscopy and DFT theoretical calculations. It was found that the thermodynamically less stable anti-isomer was initially formed in the course of the oxidation, but it underwent epimerization to the mixture enriched in the more stable syn-isomer, during the work-up process. The higher stability of syn-isomers is ascribed to the stronger hyperconjugative sigma(C-H)- gt sigma*(S-O) interaction versus the weaker sigma(C-C)- gt sigma*(S-O) delocalization in their anti-counterparts and to the existence of intramolecular 1,5-CH center dot center dot center dot C hydrogen bonds.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron",
title = "2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry",
volume = "69",
number = "31",
pages = "6436-6447",
doi = "10.1016/j.tet.2013.05.087"
}
Džambaski, Z., Marković, R., Kleinpeter, E.,& Baranac-Stojanović, M. (2013). 2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry.
Tetrahedron
Pergamon-Elsevier Science Ltd, Oxford., 69(31), 6436-6447.
https://doi.org/10.1016/j.tet.2013.05.087
Džambaski Z, Marković R, Kleinpeter E, Baranac-Stojanović M. 2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry. Tetrahedron. 2013;69(31):6436-6447
Džambaski Zdravko, Marković Rade, Kleinpeter Erich, Baranac-Stojanović Marija, "2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry" Tetrahedron, 69, no. 31 (2013):6436-6447,
https://doi.org/10.1016/j.tet.2013.05.087 .
7
7
10

Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087

Džambaski, Zdravko; Marković, Rade; Kleinpeter, Erich; Baranac-Stojanović, Marija

(Pergamon-Elsevier Science Ltd, Oxford, 2013)

TY  - BOOK
AU  - Džambaski, Zdravko
AU  - Marković, Rade
AU  - Kleinpeter, Erich
AU  - Baranac-Stojanović, Marija
PY  - 2013
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3464
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron
T1  - Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087
ER  - 
@book{
author = "Džambaski, Zdravko and Marković, Rade and Kleinpeter, Erich and Baranac-Stojanović, Marija",
year = "2013",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3464",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron",
title = "Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087"
}
Džambaski, Z., Marković, R., Kleinpeter, E.,& Baranac-Stojanović, M. (2013). Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087.
Tetrahedron
Pergamon-Elsevier Science Ltd, Oxford..
Džambaski Z, Marković R, Kleinpeter E, Baranac-Stojanović M. Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087. Tetrahedron. 2013;
Džambaski Zdravko, Marković Rade, Kleinpeter Erich, Baranac-Stojanović Marija, "Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087" Tetrahedron (2013)

Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions

Stojanović, Milovan; Marković, Rade; Kleinpeter, Erich; Baranac-Stojanović, Marija

(Royal Soc Chemistry, Cambridge, 2012)

TY  - JOUR
AU  - Stojanović, Milovan
AU  - Marković, Rade
AU  - Kleinpeter, Erich
AU  - Baranac-Stojanović, Marija
PY  - 2012
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/1237
AB  - Syntheses of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions incorporating heteroatom-based nucleophiles have been examined and discussed. The formation of (5,6)-membered systems was feasible with all nucleophiles tried (O, S and N), while the closing of the five-membered ring was restricted to O- and S-nucleophiles. The closure of a four-membered ring failed. Instead, the bicyclic (5,6)-membered acetal derivative and the tricyclic system with an eight-membered central ring were obtained from the substrates containing O and S nucleophilic moieties, respectively. The reaction outcome and stereochemistry are rationalized using quantum chemical calculations at B3LYP/6-31G(d) level. The exclusive cis-stereoselectivity in the formation of (5,6)- and (5,5)-membered systems results from thermodynamic control, whereas the formation of the eight-membered ring was kinetically controlled.
PB  - Royal Soc Chemistry, Cambridge
T2  - Organic and Biomolecular Chemistry
T1  - Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions
VL  - 10
IS  - 3
SP  - 575
EP  - 589
DO  - 10.1039/c1ob06451g
ER  - 
@article{
author = "Stojanović, Milovan and Marković, Rade and Kleinpeter, Erich and Baranac-Stojanović, Marija",
year = "2012",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/1237",
abstract = "Syntheses of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions incorporating heteroatom-based nucleophiles have been examined and discussed. The formation of (5,6)-membered systems was feasible with all nucleophiles tried (O, S and N), while the closing of the five-membered ring was restricted to O- and S-nucleophiles. The closure of a four-membered ring failed. Instead, the bicyclic (5,6)-membered acetal derivative and the tricyclic system with an eight-membered central ring were obtained from the substrates containing O and S nucleophilic moieties, respectively. The reaction outcome and stereochemistry are rationalized using quantum chemical calculations at B3LYP/6-31G(d) level. The exclusive cis-stereoselectivity in the formation of (5,6)- and (5,5)-membered systems results from thermodynamic control, whereas the formation of the eight-membered ring was kinetically controlled.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Organic and Biomolecular Chemistry",
title = "Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions",
volume = "10",
number = "3",
pages = "575-589",
doi = "10.1039/c1ob06451g"
}
Stojanović, M., Marković, R., Kleinpeter, E.,& Baranac-Stojanović, M. (2012). Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions.
Organic and Biomolecular Chemistry
Royal Soc Chemistry, Cambridge., 10(3), 575-589.
https://doi.org/10.1039/c1ob06451g
Stojanović M, Marković R, Kleinpeter E, Baranac-Stojanović M. Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions. Organic and Biomolecular Chemistry. 2012;10(3):575-589
Stojanović Milovan, Marković Rade, Kleinpeter Erich, Baranac-Stojanović Marija, "Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions" Organic and Biomolecular Chemistry, 10, no. 3 (2012):575-589,
https://doi.org/10.1039/c1ob06451g .
13
11
12

Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?

Baranac-Stojanović, Marija; Koch, Andreas; Kleinpeter, Erich

(Wiley-Blackwell, Malden, 2012)

TY  - JOUR
AU  - Baranac-Stojanović, Marija
AU  - Koch, Andreas
AU  - Kleinpeter, Erich
PY  - 2012
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/1236
AB  - Based on the nucleus-independent chemical shift (NICS) concept, isotropic magnetic shielding values have been computed along the three Cartesian axes for ethene, cyclobutadiene, benzene, naphthalene, and benzocyclobutadiene, starting from the molecular/ring center up to 10 angstrom away. These through-space NMR spectroscopic shielding (TSNMRS) values, which reflect the anisotropic effects, have been broken down into contributions from localized- and canonical molecular orbitals (LMOs and CMOs); these contributions revealed that the proton NMR spectroscopic chemical shifts of nuclei that are spatially close to the C?C double bond or the aromatic ring should not be explained in terms of the conventionally accepted p-electron shielding/deshielding effects. In fact, these effects followed the predictions only for the antiaromatic cyclobutadiene ring.
PB  - Wiley-Blackwell, Malden
T2  - Chemistry. A European Journal
T1  - Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?
VL  - 18
IS  - 1
SP  - 370
EP  - 376
DO  - 10.1002/chem.201101882
ER  - 
@article{
author = "Baranac-Stojanović, Marija and Koch, Andreas and Kleinpeter, Erich",
year = "2012",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/1236",
abstract = "Based on the nucleus-independent chemical shift (NICS) concept, isotropic magnetic shielding values have been computed along the three Cartesian axes for ethene, cyclobutadiene, benzene, naphthalene, and benzocyclobutadiene, starting from the molecular/ring center up to 10 angstrom away. These through-space NMR spectroscopic shielding (TSNMRS) values, which reflect the anisotropic effects, have been broken down into contributions from localized- and canonical molecular orbitals (LMOs and CMOs); these contributions revealed that the proton NMR spectroscopic chemical shifts of nuclei that are spatially close to the C?C double bond or the aromatic ring should not be explained in terms of the conventionally accepted p-electron shielding/deshielding effects. In fact, these effects followed the predictions only for the antiaromatic cyclobutadiene ring.",
publisher = "Wiley-Blackwell, Malden",
journal = "Chemistry. A European Journal",
title = "Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?",
volume = "18",
number = "1",
pages = "370-376",
doi = "10.1002/chem.201101882"
}
Baranac-Stojanović, M., Koch, A.,& Kleinpeter, E. (2012). Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?.
Chemistry. A European Journal
Wiley-Blackwell, Malden., 18(1), 370-376.
https://doi.org/10.1002/chem.201101882
Baranac-Stojanović M, Koch A, Kleinpeter E. Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?. Chemistry. A European Journal. 2012;18(1):370-376
Baranac-Stojanović Marija, Koch Andreas, Kleinpeter Erich, "Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?" Chemistry. A European Journal, 18, no. 1 (2012):370-376,
https://doi.org/10.1002/chem.201101882 .
23
25
26

Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine

Baranac-Stojanović, Marija; Koch, Andreas; Kleinpeter, Erich

(Wiley-V C H Verlag Gmbh, Weinheim, 2012)

TY  - JOUR
AU  - Baranac-Stojanović, Marija
AU  - Koch, Andreas
AU  - Kleinpeter, Erich
PY  - 2012
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/1557
AB  - On the basis of the nucleus-independent chemical shift (NICS) concept, the anisotropic effects of two inorganic rings, namely, borazine and planar 1,3,2,4-diazadiboretidine, are quantitatively calculated and visualized as isochemical shielding surfaces (ICSSs). Dissection of magnetic shielding values along the three Cartesian axes into contributions from s and p bonds by the natural chemical shieldingnatural bond orbital (NCSNBO) method revealed that their appearance is not a simple reflection of the extent of (anti)aromaticity.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemphyschem
T1  - Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine
VL  - 13
IS  - 17
SP  - 3803
EP  - 3811
DO  - 10.1002/cphc.201200732
ER  - 
@article{
author = "Baranac-Stojanović, Marija and Koch, Andreas and Kleinpeter, Erich",
year = "2012",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/1557",
abstract = "On the basis of the nucleus-independent chemical shift (NICS) concept, the anisotropic effects of two inorganic rings, namely, borazine and planar 1,3,2,4-diazadiboretidine, are quantitatively calculated and visualized as isochemical shielding surfaces (ICSSs). Dissection of magnetic shielding values along the three Cartesian axes into contributions from s and p bonds by the natural chemical shieldingnatural bond orbital (NCSNBO) method revealed that their appearance is not a simple reflection of the extent of (anti)aromaticity.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemphyschem",
title = "Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine",
volume = "13",
number = "17",
pages = "3803-3811",
doi = "10.1002/cphc.201200732"
}
Baranac-Stojanović, M., Koch, A.,& Kleinpeter, E. (2012). Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine.
Chemphyschem
Wiley-V C H Verlag Gmbh, Weinheim., 13(17), 3803-3811.
https://doi.org/10.1002/cphc.201200732
Baranac-Stojanović M, Koch A, Kleinpeter E. Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine. Chemphyschem. 2012;13(17):3803-3811
Baranac-Stojanović Marija, Koch Andreas, Kleinpeter Erich, "Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine" Chemphyschem, 13, no. 17 (2012):3803-3811,
https://doi.org/10.1002/cphc.201200732 .
10
9
10

Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011

Stojanović, Milovan; Marković, Rade; Kleinpeter, Erich; Baranac-Stojanović, Marija

(Pergamon-Elsevier Science Ltd, Oxford, 2011)

TY  - BOOK
AU  - Stojanović, Milovan
AU  - Marković, Rade
AU  - Kleinpeter, Erich
AU  - Baranac-Stojanović, Marija
PY  - 2011
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3644
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron
T1  - Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011
ER  - 
@book{
author = "Stojanović, Milovan and Marković, Rade and Kleinpeter, Erich and Baranac-Stojanović, Marija",
year = "2011",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3644",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron",
title = "Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011"
}
Stojanović, M., Marković, R., Kleinpeter, E.,& Baranac-Stojanović, M. (2011). Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011.
Tetrahedron
Pergamon-Elsevier Science Ltd, Oxford..
Stojanović M, Marković R, Kleinpeter E, Baranac-Stojanović M. Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011. Tetrahedron. 2011;
Stojanović Milovan, Marković Rade, Kleinpeter Erich, Baranac-Stojanović Marija, "Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011" Tetrahedron (2011)

endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines

Stojanović, Milovan; Marković, Rade; Kleinpeter, Erich; Baranac-Stojanović, Marija

(Pergamon-Elsevier Science Ltd, Oxford, 2011)

TY  - JOUR
AU  - Stojanović, Milovan
AU  - Marković, Rade
AU  - Kleinpeter, Erich
AU  - Baranac-Stojanović, Marija
PY  - 2011
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/1226
AB  - endo-Mode cyclizations of vinylogous N-acyliminium ions incorporating heteroatom-based nucleophiles have been examined as a route to the synthesis of condensed thiazolidines. The scope of these reactions and stereochemical outcome are discussed and explained using quantum chemical calculations.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron
T1  - endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines
VL  - 67
IS  - 49
SP  - 9541
EP  - 9554
DO  - 10.1016/j.tet.2011.10.011
ER  - 
@article{
author = "Stojanović, Milovan and Marković, Rade and Kleinpeter, Erich and Baranac-Stojanović, Marija",
year = "2011",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/1226",
abstract = "endo-Mode cyclizations of vinylogous N-acyliminium ions incorporating heteroatom-based nucleophiles have been examined as a route to the synthesis of condensed thiazolidines. The scope of these reactions and stereochemical outcome are discussed and explained using quantum chemical calculations.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron",
title = "endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines",
volume = "67",
number = "49",
pages = "9541-9554",
doi = "10.1016/j.tet.2011.10.011"
}
Stojanović, M., Marković, R., Kleinpeter, E.,& Baranac-Stojanović, M. (2011). endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines.
Tetrahedron
Pergamon-Elsevier Science Ltd, Oxford., 67(49), 9541-9554.
https://doi.org/10.1016/j.tet.2011.10.011
Stojanović M, Marković R, Kleinpeter E, Baranac-Stojanović M. endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines. Tetrahedron. 2011;67(49):9541-9554
Stojanović Milovan, Marković Rade, Kleinpeter Erich, Baranac-Stojanović Marija, "endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines" Tetrahedron, 67, no. 49 (2011):9541-9554,
https://doi.org/10.1016/j.tet.2011.10.011 .
11
14
13

Quantification of the Aromaticity of 2-Alkylidenethiazolines Subjected to Push-Pull Activity

Baranac-Stojanović, Marija; Keinpeter, Erich

(Amer Chemical Soc, Washington, 2011)

TY  - JOUR
AU  - Baranac-Stojanović, Marija
AU  - Keinpeter, Erich
PY  - 2011
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/1338
AB  - Through-space NMR shieldings (TSNMRSs) of a series of 2-alkylidenethiazolines subjected to push-pull activity have been calculated by the GIAO method employing the nucleus-independent chemical shift (NICS) concept and visualized as iso-chemical-shielding surfaces (ICSSs). The ICSSs were applied to quantify and visualize the degree of aromaticity of the studied compounds, which has been shown to be in excellent correlation with the push-pull behavior, quantified by the quotient (pi*/pi) method. Dissection of the absolute magnetic shielding values into individual contributions of bonds and lone pairs by the natural chemical shielding-natural bond orbital (NCS-NBO) analysis has revealed unexpected details.
PB  - Amer Chemical Soc, Washington
T2  - Journal of Organic Chemistry
T1  - Quantification of the Aromaticity of 2-Alkylidenethiazolines Subjected to Push-Pull Activity
VL  - 76
IS  - 10
SP  - 3861
EP  - 3871
DO  - 10.1021/jo200294f
ER  - 
@article{
author = "Baranac-Stojanović, Marija and Keinpeter, Erich",
year = "2011",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/1338",
abstract = "Through-space NMR shieldings (TSNMRSs) of a series of 2-alkylidenethiazolines subjected to push-pull activity have been calculated by the GIAO method employing the nucleus-independent chemical shift (NICS) concept and visualized as iso-chemical-shielding surfaces (ICSSs). The ICSSs were applied to quantify and visualize the degree of aromaticity of the studied compounds, which has been shown to be in excellent correlation with the push-pull behavior, quantified by the quotient (pi*/pi) method. Dissection of the absolute magnetic shielding values into individual contributions of bonds and lone pairs by the natural chemical shielding-natural bond orbital (NCS-NBO) analysis has revealed unexpected details.",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Organic Chemistry",
title = "Quantification of the Aromaticity of 2-Alkylidenethiazolines Subjected to Push-Pull Activity",
volume = "76",
number = "10",
pages = "3861-3871",
doi = "10.1021/jo200294f"
}
Baranac-Stojanović, M.,& Keinpeter, E. (2011). Quantification of the Aromaticity of 2-Alkylidenethiazolines Subjected to Push-Pull Activity.
Journal of Organic Chemistry
Amer Chemical Soc, Washington., 76(10), 3861-3871.
https://doi.org/10.1021/jo200294f
Baranac-Stojanović M, Keinpeter E. Quantification of the Aromaticity of 2-Alkylidenethiazolines Subjected to Push-Pull Activity. Journal of Organic Chemistry. 2011;76(10):3861-3871
Baranac-Stojanović Marija, Keinpeter Erich, "Quantification of the Aromaticity of 2-Alkylidenethiazolines Subjected to Push-Pull Activity" Journal of Organic Chemistry, 76, no. 10 (2011):3861-3871,
https://doi.org/10.1021/jo200294f .
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Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives

Baranac-Stojanović, Marija; Klaumuenzer, Ute; Marković, Rade; Kleinpeter, Erich

(Pergamon-Elsevier Science Ltd, Oxford, 2010)

TY  - JOUR
AU  - Baranac-Stojanović, Marija
AU  - Klaumuenzer, Ute
AU  - Marković, Rade
AU  - Kleinpeter, Erich
PY  - 2010
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/1135
AB  - Structures of a series of push-pull 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives were optimized at the B3LYP/6-31G(d) level of theory in the gas phase and discussed with respect to configurational and conformational stability. Employing the GIAO method, C-13 NMR chemical shifts of the C-2, C-2', C-4 and C-5 atoms were calculated at the same level of theory in the gas phase and with inclusion of solvent, and compared with experimental data. Push-pull effect of all compounds was quantified by means of the quotient pi*/pi, length of the partial double bond, C-13 NMR chemical shift difference (Delta delta(C=C)) and H-1 NMR chemical shifts of olefinic protons. The effect of bromine on donating and accepting ability of other substituents of the push-pull C=C double bond is discussed, too. (C) 2010 Elsevier Ltd. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron
T1  - Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives
VL  - 66
IS  - 46
SP  - 8958
EP  - 8967
DO  - 10.1016/j.tet.2010.09.040
ER  - 
@article{
author = "Baranac-Stojanović, Marija and Klaumuenzer, Ute and Marković, Rade and Kleinpeter, Erich",
year = "2010",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/1135",
abstract = "Structures of a series of push-pull 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives were optimized at the B3LYP/6-31G(d) level of theory in the gas phase and discussed with respect to configurational and conformational stability. Employing the GIAO method, C-13 NMR chemical shifts of the C-2, C-2', C-4 and C-5 atoms were calculated at the same level of theory in the gas phase and with inclusion of solvent, and compared with experimental data. Push-pull effect of all compounds was quantified by means of the quotient pi*/pi, length of the partial double bond, C-13 NMR chemical shift difference (Delta delta(C=C)) and H-1 NMR chemical shifts of olefinic protons. The effect of bromine on donating and accepting ability of other substituents of the push-pull C=C double bond is discussed, too. (C) 2010 Elsevier Ltd. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron",
title = "Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives",
volume = "66",
number = "46",
pages = "8958-8967",
doi = "10.1016/j.tet.2010.09.040"
}
Baranac-Stojanović, M., Klaumuenzer, U., Marković, R.,& Kleinpeter, E. (2010). Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives.
Tetrahedron
Pergamon-Elsevier Science Ltd, Oxford., 66(46), 8958-8967.
https://doi.org/10.1016/j.tet.2010.09.040
Baranac-Stojanović M, Klaumuenzer U, Marković R, Kleinpeter E. Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives. Tetrahedron. 2010;66(46):8958-8967
Baranac-Stojanović Marija, Klaumuenzer Ute, Marković Rade, Kleinpeter Erich, "Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives" Tetrahedron, 66, no. 46 (2010):8958-8967,
https://doi.org/10.1016/j.tet.2010.09.040 .
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