Cycloaddition of o-benzyne to benzene and the inner phase of a hemicarcerand

Brett R. Beno; Chimin Sheu; K. N. Houk; Ralf Warmuth; D. J. Cram

doi:10.1039/a707671a

Cycloaddition of o-benzyne to benzene and the inner phase of a hemicarcerand

Brett R. Beno, Chimin Sheu, K. N. Houk, Ralf Warmuth, D. J. Cram

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

31 Scopus citations

Abstract

Becke3LYP/6-31G* calculations predict a small energy of concert for the Diels-Alder reaction of o-benzyne with benzene, and force-field calculations indicate that steric interactions and transannular strain are responsible for the regiospecificity of the Diels-Alder reaction between o-benzyne and its host hemicarcerand.

Original language	English (US)
Pages (from-to)	301-302
Number of pages	2
Journal	Chemical Communications
Issue number	3
DOIs	https://doi.org/10.1039/a707671a
State	Published - Feb 7 1998
Externally published	Yes

All Science Journal Classification (ASJC) codes

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
General Chemistry
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

Access to Document

10.1039/a707671a

Cite this

@article{b4e664f02dbb4d1bbd0ac8f431218b1b,

title = "Cycloaddition of o-benzyne to benzene and the inner phase of a hemicarcerand",

abstract = "Becke3LYP/6-31G* calculations predict a small energy of concert for the Diels-Alder reaction of o-benzyne with benzene, and force-field calculations indicate that steric interactions and transannular strain are responsible for the regiospecificity of the Diels-Alder reaction between o-benzyne and its host hemicarcerand.",

author = "Beno, {Brett R.} and Chimin Sheu and Houk, {K. N.} and Ralf Warmuth and Cram, {D. J.}",

year = "1998",

month = feb,

day = "7",

doi = "10.1039/a707671a",

language = "English (US)",

pages = "301--302",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "3",

}

TY - JOUR

T1 - Cycloaddition of o-benzyne to benzene and the inner phase of a hemicarcerand

AU - Beno, Brett R.

AU - Sheu, Chimin

AU - Houk, K. N.

AU - Warmuth, Ralf

AU - Cram, D. J.

PY - 1998/2/7

Y1 - 1998/2/7

N2 - Becke3LYP/6-31G* calculations predict a small energy of concert for the Diels-Alder reaction of o-benzyne with benzene, and force-field calculations indicate that steric interactions and transannular strain are responsible for the regiospecificity of the Diels-Alder reaction between o-benzyne and its host hemicarcerand.

AB - Becke3LYP/6-31G* calculations predict a small energy of concert for the Diels-Alder reaction of o-benzyne with benzene, and force-field calculations indicate that steric interactions and transannular strain are responsible for the regiospecificity of the Diels-Alder reaction between o-benzyne and its host hemicarcerand.

UR - http://www.scopus.com/inward/record.url?scp=0003015494&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0003015494&partnerID=8YFLogxK

U2 - 10.1039/a707671a

DO - 10.1039/a707671a

M3 - Article

AN - SCOPUS:0003015494

SN - 1359-7345

SP - 301

EP - 302

JO - Chemical Communications

JF - Chemical Communications

IS - 3

ER -

Cycloaddition of o-benzyne to benzene and the inner phase of a hemicarcerand

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this