Structure and stabilities of the isomers of SiB2H4 |
| |
Authors: | G. Subramanian Eluvathingal D. Jemmis |
| |
Affiliation: | School of Chemistry, University of Hyderabad, Hyderabad 500134, India |
| |
Abstract: | Ab initio quantum-mechanical methods at the HF/6–31G*, MP2/6–31G* and MP2/6–31G* levels are used to study the relative stabilities of the isomers of SiB2H4. Isomers obtained using the analogy between trivalent boron and divalent silicon are calculated to be more stable compared to isomers where carbon is replaced by the isovalent silicon. 2π aromaticity and the preference of silicon for lower valency control the relative stabilities of SiB2H4 isomers. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |