Electrophilicity and spin polarization of simple substituted silylenes

被引：28

作者：

Chamorro, E.

Santos, J. C.

Escobar, C. A.

Perez, P.

机构：

[1] Univ Nacl Andres Bello, Dept Ciencias Quim, Fac Ecol & Recursos Nat, Santiago 8370146, Chile

[2] Univ Chile, Dept Quim, Fac Ciencias, Santiago, Chile

[3] Univ Chile, Dept Fis, Fac Ciencias, Santiago, Chile

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 431卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2006.09.072

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The philicity indices, omega(N), and omega(+)(S), characterize a charge transfer process occurring at constant spin number, and the spin polarization for a process at constant number of electrons, respectively. These descriptors are explored for a series of substituted C2HSiX silylene isomers (X = F, Cl, Br, H), providing new insights for a comprehensive description of global and local chemical reactivity patterns and halogen substituent effects in these systems. (c) 2006 Elsevier B.V. All rights reserved.

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页码：210 / 215

页数：6

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