von RagueSchleyer, Paul ; Maslak, Przemyslaw ; Chandrasekhar, Jayaraman ; Grev, Roger S. (1993) Is a C≡C quadruple bond possible? Tetrahedron Letters, 34 (40). pp. 6387-6390. ISSN 0040-4039
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/004040...
Related URL: http://dx.doi.org/10.1016/0040-4039(93)85052-X
Abstract
Ab initio computations predict a minimum for a carbon-carbon quadruple bond in C2). While the computed C-C separation, 1.128Å, fits Pauling's bond order-bond length relationship well, this result is an artifact of the restricted Hartree Fock theory. Ab initio computations predict a minimum for a carbon-carbon quadruple bond in C2. While the computed C-C separation, 1.128Å, fits Pauling's bond order-bond length relationship well, this result is an artifact of the restricted Hartree Fock theory.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 7140 |
| Deposited On: | 25 Oct 2010 12:29 |
| Last Modified: | 05 Feb 2011 08:05 |
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