Gas electron diffraction study of the geometric structure of triallylborane molecule

Autor:	Lev V. Vilkov, Mikhail E. Gurskii, Nikolai M. Karasev, Anatolii N. Rykov, Yu. V. Vishnevskii, Yu. N. Bubnov
Rok vydání:	2005
Předmět:	Crystallography Gas electron diffraction Chemistry Physical chemistry Molecule General Chemistry
Zdroj:	Russian Chemical Bulletin. 54:99-102
ISSN:	1573-9171 1066-5285
DOI:	10.1007/s11172-005-0223-6
Popis:	The main structural parameters of the triallylborane molecule having the C3 symmetry were determined by gas electron diffraction and quantum-chemical calculations at the MP2/6-31G(d,p) and B3LYP/6-31G(d,p) levels. The parameters calculated by the MP2/6-31G(d,p) method are in better agreement with the experimental data than those calculated by the B3LYP/6-31G(d,p) method.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e65f2b295d44d19496fce267b02cc7c https://doi.org/10.1007/s11172-005-0223-6 Zobrazit plný text záznamu Full text from SpringerLink