Jemmis, Eluvathingal D. ; Phukan, Ashwini Kumar ; Rosenthal, Uwe (2001) Structure and bonding of metallacyclocumulenes, radialenes, butadiyne complexes and their possible interconversion: a theoretical study Journal of Organometallic Chemistry, 635 (1-2). pp. 204-211. ISSN 0022-328X
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/S0022-328X(01)01112-3
Abstract
Density functional theory is used to study the dimerization of metallacyclocumulenes (1, 2 and 9) to metal substituted radialenes (3, 4 and 5). These were compared to the dimerization of ethylene to cyclobutane and cumulene to radialene. The bonding of the metallacyclocumulenes were discussed in the light of the Dewar-Chatt-Duncanson model. A possible mechanism for the formation of bis(butadiyne) complex of Ni (8) is also presented. Correlation diagrams constructed for the conversion of the radialene type structure to that of the bis(butadiyne) complex show that it is allowed for both Ti and Ni.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Metallacyclocumulenes; Radialenes; Butadiyne Complexes; Titanocene; Zirconocene |
| ID Code: | 82699 |
| Deposited On: | 14 Feb 2012 11:45 |
| Last Modified: | 14 Feb 2012 11:45 |
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