Published 1994
| Version v1
Journal article
Molecular mechanics for the calculations of metallocarborane molecules
- 1. AN SSSR, Moscow (Russian Federation). Inst. Ehlementoorganicheskikh Soedinenij
Description
Molecular mechanics force field for metallocarboranes was developed. Conformational calculations of metallocene sandwich complexes analogs [RR'C2B4H4]2M, R and R'=Me3Si or Me, M = Si, Ge, Sn, Pb were undertaken. The calculation showed that short metal-ligand distances (M = Si, Ge) correspond to parallel-sandwich conformations whereas bent-sandwich complexes are characterized by longer distances (M = Sn, Pb). 24 refs.; 3 figs.; 4 tabs
Additional details
Additional titles
- Original title (Russian)
- Ispol'zovanie molekulyarnoj mekhaniki dlya rasetov molekul metallokarboranov
Publishing Information
- Journal Title
- Izvestiya Akademii Nauk. Seriya Khimicheskaya
- Journal Issue
- no.11
- Journal Page Range
- p. 1906-1912.
- ISSN
- 0002-3353
- CODEN
- IASKEA
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- Russian Federation
- INIS RN
- 27055386
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- BOND LENGTHS; CARBORANES; CHEMICAL BONDS; CHEMICAL COMPOSITION; GERMANIUM COMPLEXES; LEAD COMPLEXES; MOLECULAR STRUCTURE; SILICON COMPLEXES; TIN COMPLEXES
- Descriptors DEC
- COMPLEXES; ORGANIC BORON COMPOUNDS; ORGANIC COMPOUNDS