Theoretical studies on the structures and reactivity of stannylenoids I. The structures and isomerization of stannylenoid H2SnLiF

Autor:	Deng Cong-Hao, Qiu Hua‐Yu
Rok vydání:	2010
Předmět:	Chemistry Chemical physics Computational chemistry Potential energy surface Ab initio Molecular orbital theory Reactivity (chemistry) General Chemistry Singlet state Ring (chemistry) Isomerization Transition state
Zdroj:	Chinese Journal of Chemistry. 14:310-314
ISSN:	1001-604X
Popis:	The structures of singlet stannylenoid H2SnLiF have been examined by ah initio MO theory. Four equilibrium states and three transition states of isomerization reaction are located. The calculation shows that the p-complex 1 is the most stable and experimentally detectable. The other three species, three-membered ring 2, s-complex 3 and tetrahedron 4, are also local minima on the potential energy surface, but are higher in energy.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::70978edec62807f9a6bbc662482169ea https://doi.org/10.1002/cjoc.19960140405 Zobrazit plný text záznamu Plný text