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

This article is cited in 6 papers

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

Abstract: 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.

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

Language: English

DOI: 10.1016/j.mencom.2010.03.002

	*Supplementary materials:*
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