Theoretical study of acidity of dicarbacloso-dodecaboranes(12) and their chloroderivatives

Theoretical study of acidity of dicarbacloso-dodecaboranes(12) and their chloroderivatives

Quantum-chemical calculation of o-, m-, p-carboranes(12) and C2H2B10Cl10 has been carried out by RHF, DFT(B3LYP) and MP2 methods (6-31G** and 6-311++G**). The analysis of electronic structure of these molecules has been performed. The correlations between electronic and thermodynamic parameters with...

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Bibliographic Details
Main Authors:	S. Р. Knyazev, E. G. Gordeev, E. A. Chernyshev
Format:	Article
Language:	Russian
Published:	MIREA - Russian Technological University 2008-02-01
Series:	Тонкие химические технологии
Online Access:	https://www.finechem-mirea.ru/jour/article/view/1463

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