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2016•Physical Chemistry Chemical PhysicsRequires access

The driving force for Π-bond localization and bond alternation in trisannelated benzenes

Xuhui Lin, Zhenhua Chen, Wei Wu

Open publisher page 3 citations

Abstract

hybridization. Meanwhile, the π-π interaction also provides a sort of driving force, which facilitates bond length alternation, which in turn magnifies π-bond localization. A subsequent potential energy curve study shows that σ-strain and π-π interactions have different mechanisms for the effect.

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What this paper is about

hybridization. Meanwhile, the π-π interaction also provides a sort of driving force, which facilitates bond length alternation, which in turn magnifies π-bond localization. A subsequent potential energy curve study shows that σ-strain and π-π interactions have different mechanisms for the effect.

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Available abstract

hybridization. Meanwhile, the π-π interaction also provides a sort of driving force, which facilitates bond length alternation, which in turn magnifies π-bond localization. A subsequent potential energy curve study shows that σ-strain and π-π interactions have different mechanisms for the effect.

Key concepts: Bond, Valence bond theory, Alternation (linguistics), Ab initio, Chemistry, Bond length, Benzene, Computational chemistry

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