The neutral and ionic vinylidene-acetylene rearrangement

Gemot Frenking

doi:10.1016/0009-2614(83)87413-2

The neutral and ionic vinylidene-acetylene rearrangement

Gemot Frenking

Technical University of Berlin

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

48 Scopus citations

Abstract

Transition state structures for the neutral, cationic and anionic vinylidene-acetylene rearrangement are calculated by ab initio methods. While the barriers for the neutral and cationic H-shift are found to be low or even zero involving a planar structure, rearrangement of the vinylidene anion proceeds with high activation energy possibly via a perpendicular transition state.

Original language	English
Pages (from-to)	484-487
Number of pages	4
Journal	Chemical Physics Letters
Volume	100
Issue number	6
DOIs	https://doi.org/10.1016/0009-2614(83)87413-2
State	Published - 30 Sep 1983
Externally published	Yes

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title = "The neutral and ionic vinylidene-acetylene rearrangement",

abstract = "Transition state structures for the neutral, cationic and anionic vinylidene-acetylene rearrangement are calculated by ab initio methods. While the barriers for the neutral and cationic H-shift are found to be low or even zero involving a planar structure, rearrangement of the vinylidene anion proceeds with high activation energy possibly via a perpendicular transition state.",

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N2 - Transition state structures for the neutral, cationic and anionic vinylidene-acetylene rearrangement are calculated by ab initio methods. While the barriers for the neutral and cationic H-shift are found to be low or even zero involving a planar structure, rearrangement of the vinylidene anion proceeds with high activation energy possibly via a perpendicular transition state.

AB - Transition state structures for the neutral, cationic and anionic vinylidene-acetylene rearrangement are calculated by ab initio methods. While the barriers for the neutral and cationic H-shift are found to be low or even zero involving a planar structure, rearrangement of the vinylidene anion proceeds with high activation energy possibly via a perpendicular transition state.

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DO - 10.1016/0009-2614(83)87413-2

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JO - Chemical Physics Letters

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The neutral and ionic vinylidene-acetylene rearrangement

Abstract

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