Title of article :
Electrophilicity and spin polarization of simple substituted silylenes
Author/Authors :
Chamorro، نويسنده , , E. and Santos، نويسنده , , J.C. and Escobar، نويسنده , , C.A. and Pérez، نويسنده , , P.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
Abstract :
The philicity indices, ωN, and ω 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.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters