Vibrational and Quantum Chemical Study of Triphenylantimony(V)-o-salicylate
A complete normal coordinate analysis was performed by two different methods: a classical Wilson G-F matrix method and the semi-empirical molecular orbital PM3 method, for a five coordinate non rigid triphenyl antimony diester SbPh3(O2CR)2,[R=C6H4OH-o], known to be a bioactive molecule. The study of...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2008-01-01
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| Series: | E-Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2008/351845 |
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| author | Tanveer Hasan P. K. Singh P. Raj K. Singhal Neeraj Misra |
| author_facet | Tanveer Hasan P. K. Singh P. Raj K. Singhal Neeraj Misra |
| author_sort | Tanveer Hasan |
| collection | DOAJ |
| description | A complete normal coordinate analysis was performed by two different methods: a classical Wilson G-F matrix method and the semi-empirical molecular orbital PM3 method, for a five coordinate non rigid triphenyl antimony diester SbPh3(O2CR)2,[R=C6H4OH-o], known to be a bioactive molecule. The study of vibrational spectra suggested that the title compound might have secondary bonding interaction between the central antimony atom and the carbonyl oxygen atoms. The atomic charge distribution, geometry optimization and thermochemistry, were also calculated by PM3 method, which help in finding the potential sites of the title compound. |
| format | Article |
| id | doaj-art-4fe1123276fc4f209a302800cf05c41d |
| institution | Kabale University |
| issn | 0973-4945 2090-9810 |
| language | English |
| publishDate | 2008-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | E-Journal of Chemistry |
| spelling | doaj-art-4fe1123276fc4f209a302800cf05c41d2025-02-03T01:04:58ZengWileyE-Journal of Chemistry0973-49452090-98102008-01-015472373510.1155/2008/351845Vibrational and Quantum Chemical Study of Triphenylantimony(V)-o-salicylateTanveer Hasan0P. K. Singh1P. Raj2K. Singhal3Neeraj Misra4Department of Physics, Lucknow University, Lucknow-226007, IndiaDepartment of Physics, Lucknow University, Lucknow-226007, IndiaDepartment of Chemistry, Lucknow University, Lucknow-226007, IndiaDepartment of Chemistry, Lucknow University, Lucknow-226007, IndiaDepartment of Physics, Lucknow University, Lucknow-226007, IndiaA complete normal coordinate analysis was performed by two different methods: a classical Wilson G-F matrix method and the semi-empirical molecular orbital PM3 method, for a five coordinate non rigid triphenyl antimony diester SbPh3(O2CR)2,[R=C6H4OH-o], known to be a bioactive molecule. The study of vibrational spectra suggested that the title compound might have secondary bonding interaction between the central antimony atom and the carbonyl oxygen atoms. The atomic charge distribution, geometry optimization and thermochemistry, were also calculated by PM3 method, which help in finding the potential sites of the title compound.http://dx.doi.org/10.1155/2008/351845 |
| spellingShingle | Tanveer Hasan P. K. Singh P. Raj K. Singhal Neeraj Misra Vibrational and Quantum Chemical Study of Triphenylantimony(V)-o-salicylate E-Journal of Chemistry |
| title | Vibrational and Quantum Chemical Study of Triphenylantimony(V)-o-salicylate |
| title_full | Vibrational and Quantum Chemical Study of Triphenylantimony(V)-o-salicylate |
| title_fullStr | Vibrational and Quantum Chemical Study of Triphenylantimony(V)-o-salicylate |
| title_full_unstemmed | Vibrational and Quantum Chemical Study of Triphenylantimony(V)-o-salicylate |
| title_short | Vibrational and Quantum Chemical Study of Triphenylantimony(V)-o-salicylate |
| title_sort | vibrational and quantum chemical study of triphenylantimony v o salicylate |
| url | http://dx.doi.org/10.1155/2008/351845 |
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