F. M. Bickelhaupt, C. Fonseca Guerra, N. S. Zefirov, “C(CN)5–: transition state or intermediate?”, Mendeleev Commun., 20:2 (2010), 72

Эта публикация цитируется в 6 статьях

C(CN)₅^–: transition state or intermediate?

F. M. Bickelhaupt^a, C. Fonseca Guerra^a, N. S. Zefirov^b

^a Scheikundig Laboratorium, Vrije Universiteit, De Boelelaan, Amsterdam, The Netherlands
^b Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation

Аннотация: Cyanide reacts with tetracyanomethane towards the tricyanomethyl anion via cyanophilic substitution; this is suggested by nitrogen isotope-labeling experiments and proven by density functional calculations at OLYP/TZ2P.

Ключевые слова: density functional calculations, hypervalence, isotope labeling, tetracyanomethane, tricyanomethyl anion.

Язык публикации: английский

DOI: 10.1016/j.mencom.2010.03.002

	*Дополнительные материалы:*
		Supplementary_data_1.pdf	58.8 Kb