Hypervalent versus nonhypervalent carbon in noble-gas complexes

Simon C.A.H. Pierrefixe; Jordi Poater; Chan Im; F. Matthias Bickelhaupt

doi:10.1002/chem.200800013

Hypervalent versus nonhypervalent carbon in noble-gas complexes

Simon C.A.H. Pierrefixe, Jordi Poater, Chan Im, F. Matthias Bickelhaupt

Research output: Contribution to journal › Article › peer-review

34 Citations (Scopus)

Abstract

Silicon in [Cl-SiH₃-Cl]- is hypervalent, whereas carbon in [Cl-CH₃-Cl]^- is not. We have recently shown how this can be understood in terms of the ball-in-a-box model, according to which silicon fits perfectly into the box that is constituted by the five substituents, whereas carbon is too small and, in a sense,

Original language	English
Pages (from-to)	6901-6911
Number of pages	11
Journal	Chemistry - A European Journal
Volume	14
Issue number	23
DOIs	https://doi.org/10.1002/chem.200800013
Publication status	Published - 8 Aug 2008
Externally published	Yes

Keywords

Bond theory
Carbon
Density functional calculations
Hypervalent compounds
Noble gases

ASJC Scopus subject areas

Catalysis
General Chemistry
Organic Chemistry

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10.1002/chem.200800013

Cite this

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title = "Hypervalent versus nonhypervalent carbon in noble-gas complexes",

abstract = "Silicon in [Cl-SiH3-Cl]- is hypervalent, whereas carbon in [Cl-CH3-Cl]- is not. We have recently shown how this can be understood in terms of the ball-in-a-box model, according to which silicon fits perfectly into the box that is constituted by the five substituents, whereas carbon is too small and, in a sense,",

keywords = "Bond theory, Carbon, Density functional calculations, Hypervalent compounds, Noble gases",

author = "Pierrefixe, \{Simon C.A.H.\} and Jordi Poater and Chan Im and Bickelhaupt, \{F. Matthias\}",

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AU - Pierrefixe, Simon C.A.H.

AU - Poater, Jordi

AU - Im, Chan

AU - Bickelhaupt, F. Matthias

PY - 2008/8/8

Y1 - 2008/8/8

N2 - Silicon in [Cl-SiH3-Cl]- is hypervalent, whereas carbon in [Cl-CH3-Cl]- is not. We have recently shown how this can be understood in terms of the ball-in-a-box model, according to which silicon fits perfectly into the box that is constituted by the five substituents, whereas carbon is too small and, in a sense,

AB - Silicon in [Cl-SiH3-Cl]- is hypervalent, whereas carbon in [Cl-CH3-Cl]- is not. We have recently shown how this can be understood in terms of the ball-in-a-box model, according to which silicon fits perfectly into the box that is constituted by the five substituents, whereas carbon is too small and, in a sense,

KW - Bond theory

KW - Carbon

KW - Density functional calculations

KW - Hypervalent compounds

KW - Noble gases

UR - https://www.scopus.com/pages/publications/53849098403

U2 - 10.1002/chem.200800013

DO - 10.1002/chem.200800013

M3 - Article

AN - SCOPUS:53849098403

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EP - 6911

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

IS - 23

ER -

Hypervalent versus nonhypervalent carbon in noble-gas complexes

Abstract

Keywords

ASJC Scopus subject areas

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