Prismene: A Theoretically Predicted Target for Experimental Studies

Volker Jonas; Gemot Frenking

doi:10.1021/jo00049a002

Prismene: A Theoretically Predicted Target for Experimental Studies

Volker Jonas, Gemot Frenking

University of Marburg

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

10 Scopus citations

Abstract

Two isomers of dehydroprismane with different positions of the double bond are calculated by quantum mechanical ab initio methods as minima on the C₆H₄ potential energy surface, and the most stable one with a double bond between a four-membered and a three-membered ring should be detectable in appropriate experiments.

Original language	English
Pages (from-to)	6085-6088
Number of pages	4
Journal	Journal of Organic Chemistry
Volume	57
Issue number	23
DOIs	https://doi.org/10.1021/jo00049a002
State	Published - 1 Nov 1992
Externally published	Yes

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title = "Prismene: A Theoretically Predicted Target for Experimental Studies",

abstract = "Two isomers of dehydroprismane with different positions of the double bond are calculated by quantum mechanical ab initio methods as minima on the C6H4 potential energy surface, and the most stable one with a double bond between a four-membered and a three-membered ring should be detectable in appropriate experiments.",

author = "Volker Jonas and Gemot Frenking",

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AU - Jonas, Volker

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PY - 1992/11/1

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N2 - Two isomers of dehydroprismane with different positions of the double bond are calculated by quantum mechanical ab initio methods as minima on the C6H4 potential energy surface, and the most stable one with a double bond between a four-membered and a three-membered ring should be detectable in appropriate experiments.

AB - Two isomers of dehydroprismane with different positions of the double bond are calculated by quantum mechanical ab initio methods as minima on the C6H4 potential energy surface, and the most stable one with a double bond between a four-membered and a three-membered ring should be detectable in appropriate experiments.

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U2 - 10.1021/jo00049a002

DO - 10.1021/jo00049a002

M3 - 文章

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VL - 57

SP - 6085

EP - 6088

JO - Journal of Organic Chemistry

JF - Journal of Organic Chemistry

IS - 23

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Prismene: A Theoretically Predicted Target for Experimental Studies

Abstract

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