Electrophilicity and spin polarization of simple substituted silylenes

Resultado de la investigación: Article

22 Citas (Scopus)

Resumen

The philicity indices, ωN, and ωS+, 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.

Idioma originalEnglish
Páginas (desde-hasta)210-215
Número de páginas6
PublicaciónChemical Physics Letters
Volumen431
N.º1-3
DOI
EstadoPublished - 11 nov 2006

Huella dactilar

Chemical reactivity
Spin polarization
Halogens
Isomers
Charge transfer
Electrons
polarization
halogens
isomers
reactivity
charge transfer
electrons

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Citar esto

@article{e7a39363a9cc411193db839ec4daf307,
title = "Electrophilicity and spin polarization of simple substituted silylenes",
abstract = "The philicity indices, ωN, and ωS+, 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.",
author = "E. Chamorro and Santos, {J. C.} and Escobar, {C. A.} and P. P{\'e}rez",
year = "2006",
month = "11",
day = "11",
doi = "10.1016/j.cplett.2006.09.072",
language = "English",
volume = "431",
pages = "210--215",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "1-3",

}

TY - JOUR

T1 - Electrophilicity and spin polarization of simple substituted silylenes

AU - Chamorro, E.

AU - Santos, J. C.

AU - Escobar, C. A.

AU - Pérez, P.

PY - 2006/11/11

Y1 - 2006/11/11

N2 - The philicity indices, ωN, and ωS+, 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.

AB - The philicity indices, ωN, and ωS+, 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.

UR - http://www.scopus.com/inward/record.url?scp=33750978995&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2006.09.072

DO - 10.1016/j.cplett.2006.09.072

M3 - Article

AN - SCOPUS:33750978995

VL - 431

SP - 210

EP - 215

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 1-3

ER -