C(CN)5-: transition state or intermediate?

被引：5

作者：

Bickelhaupt, F. Matthias ^{[1
]}

Guerra, C. Fonseca ^{[1
]}

Zefirov, Nikolai S. ^{[2
]}

机构：

[1] Vrije Univ Amsterdam, Scheikundig Lab, Dept Theoret Chem, Amsterdam Ctr Multiscale Modeling, NL-1081 HV Amsterdam, Netherlands

[2] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia

来源：

MENDELEEV COMMUNICATIONS | 2010年 / 20卷 / 02期

关键词：

PLANAR TETRACOORDINATE CARBON; CORRELATION-ENERGY; TETRACYANOMETHANE; HYPERVALENT; MOLECULES; CHEMISTRY;

D O I：

10.1016/j.mencom.2010.03.002

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：72 / 73

页数：2

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