Is a CC quadruple bond possible?

Paul von Ragué Schleyer; Przemyslaw Maslak; Jayaraman Chandrasekhar; Roger S. Grev

doi:10.1016/0040-4039(93)85052-X

Is a CC quadruple bond possible?

Paul von Ragué Schleyer, Przemyslaw Maslak, Jayaraman Chandrasekhar, Roger S. Grev

Chemistry

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

20 Scopus citations

Abstract

Ab initio computations predict a minimum for a carbon-carbon quadruple bond in C₂). While the computed CC separation, 1.128 Å, fits Pauling's bond order-bond length relationship well, this result is an artifact of the restricted Hartree Fock theory.

Original language	English (US)
Pages (from-to)	6387-6390
Number of pages	4
Journal	Tetrahedron Letters
Volume	34
Issue number	40
DOIs	https://doi.org/10.1016/0040-4039(93)85052-X
State	Published - Oct 1 1993

All Science Journal Classification (ASJC) codes

Biochemistry
Drug Discovery
Organic Chemistry

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10.1016/0040-4039(93)85052-X

Cite this

@article{3758e42a4eed4882bc8d145824b25e52,

title = "Is a CC quadruple bond possible?",

abstract = "Ab initio computations predict a minimum for a carbon-carbon quadruple bond in C2). While the computed CC separation, 1.128 {\AA}, fits Pauling's bond order-bond length relationship well, this result is an artifact of the restricted Hartree Fock theory.",

author = "{von Ragu{\'e} Schleyer}, Paul and Przemyslaw Maslak and Jayaraman Chandrasekhar and Grev, {Roger S.}",

note = "Funding Information: Adcnowledgements: This work was supported by the Deutsche Forschungsgemeinschaft. thanks the Humboldt Foundation for the research fellowship.",

year = "1993",

month = oct,

day = "1",

doi = "10.1016/0040-4039(93)85052-X",

language = "English (US)",

volume = "34",

pages = "6387--6390",

journal = "Tetrahedron Letters",

issn = "0040-4039",