Theoretical study of the Wanzlick equilibrium

Mu Jeng Cheng; Chun Liang Lai; Ching Han Hu

doi:10.1080/00268970412331292911

Theoretical study of the Wanzlick equilibrium

Mu Jeng Cheng, Chun Liang Lai, Ching Han Hu

Department of Chemistry

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

11 Citations (Scopus)

Abstract

A theoretical study of the tetraaminoethylene-diaminocarbene dissociation reaction shows that equilibrium is more readily attained for benzimidazol-2-ylidenes and doubly bridged imidazol-2-ylidenes. For imidazolin-2-ylidenes, the 'Wanzlick equilibrium' is less likely to occur due to the high reaction barrier. We demonstrate that the equilibrium reaction can be catalyzed by an electrophile.

Original language	English
Pages (from-to)	2617-2621
Number of pages	5
Journal	Molecular Physics
Volume	102
Issue number	23-24
DOIs	https://doi.org/10.1080/00268970412331292911
Publication status	Published - 2004 Dec 10

All Science Journal Classification (ASJC) codes

Biophysics
Molecular Biology
Condensed Matter Physics
Physical and Theoretical Chemistry

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title = "Theoretical study of the Wanzlick equilibrium",

abstract = "A theoretical study of the tetraaminoethylene-diaminocarbene dissociation reaction shows that equilibrium is more readily attained for benzimidazol-2-ylidenes and doubly bridged imidazol-2-ylidenes. For imidazolin-2-ylidenes, the 'Wanzlick equilibrium' is less likely to occur due to the high reaction barrier. We demonstrate that the equilibrium reaction can be catalyzed by an electrophile.",

author = "Cheng, {Mu Jeng} and Lai, {Chun Liang} and Hu, {Ching Han}",

note = "Funding Information: This work was supported by the National Science Council of Taiwan, Republic of China. We thank the National Center for High-performance Computing for computer time and facilities.",

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AU - Cheng, Mu Jeng

AU - Lai, Chun Liang

AU - Hu, Ching Han

N1 - Funding Information: This work was supported by the National Science Council of Taiwan, Republic of China. We thank the National Center for High-performance Computing for computer time and facilities.

PY - 2004/12/10

Y1 - 2004/12/10

N2 - A theoretical study of the tetraaminoethylene-diaminocarbene dissociation reaction shows that equilibrium is more readily attained for benzimidazol-2-ylidenes and doubly bridged imidazol-2-ylidenes. For imidazolin-2-ylidenes, the 'Wanzlick equilibrium' is less likely to occur due to the high reaction barrier. We demonstrate that the equilibrium reaction can be catalyzed by an electrophile.

AB - A theoretical study of the tetraaminoethylene-diaminocarbene dissociation reaction shows that equilibrium is more readily attained for benzimidazol-2-ylidenes and doubly bridged imidazol-2-ylidenes. For imidazolin-2-ylidenes, the 'Wanzlick equilibrium' is less likely to occur due to the high reaction barrier. We demonstrate that the equilibrium reaction can be catalyzed by an electrophile.

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DO - 10.1080/00268970412331292911

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EP - 2621

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 23-24

ER -

Theoretical study of the Wanzlick equilibrium

Abstract

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