Substituent effects on benzyne electronic structures

William T.G. Johnson; Chris Cramer

doi:10.1002/poc.402

Substituent effects on benzyne electronic structures

William T.G. Johnson, Chris Cramer

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Abstract

The effect of inductive strength and π-conjugating tendency on the structure and energetics of singly substituted benzynes is studied for different substituents. For amino and cyano substituents, all possible isomers are examined. For silyl and ammonio substituents, meta isomers are examined.

Original language	English (US)
Pages (from-to)	597-603
Number of pages	7
Journal	Journal of Physical Organic Chemistry
Volume	14
Issue number	9
DOIs	https://doi.org/10.1002/poc.402
State	Published - Sep 1 2001

Keywords

Aryne
Biradical
Diradical
Modeling
Resonance
Singlet-triplet splitting

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10.1002/poc.402

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title = "Substituent effects on benzyne electronic structures",

abstract = "The effect of inductive strength and π-conjugating tendency on the structure and energetics of singly substituted benzynes is studied for different substituents. For amino and cyano substituents, all possible isomers are examined. For silyl and ammonio substituents, meta isomers are examined.",

keywords = "Aryne, Biradical, Diradical, Modeling, Resonance, Singlet-triplet splitting",

author = "Johnson, {William T.G.} and Chris Cramer",

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AU - Johnson, William T.G.

AU - Cramer, Chris

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AB - The effect of inductive strength and π-conjugating tendency on the structure and energetics of singly substituted benzynes is studied for different substituents. For amino and cyano substituents, all possible isomers are examined. For silyl and ammonio substituents, meta isomers are examined.

KW - Aryne

KW - Biradical

KW - Diradical

KW - Modeling

KW - Resonance

KW - Singlet-triplet splitting

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JO - Journal of Physical Organic Chemistry

JF - Journal of Physical Organic Chemistry

IS - 9

ER -

Substituent effects on benzyne electronic structures

Abstract

Keywords

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