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N-Heterocyclic Carbenes of the Late Transition Metals: A Computational and Structural Database Study
| Content Provider | University of North Texas |
|---|---|
| Author | Baba, Eduard |
| Description | A computational chemistry analysis combined with a crystallographic database study of the bonding in late transition metal N-heterocyclic carbene (NHC) complexes is reported. The results illustrate a metal-carbon bond for these complexes, approximately 4% shorter than that of a M-C single bond found in metal alkyl complexes. As a consequence of this result, two hypotheses are investigated. The first hypothesis explores the possibility of multiple-bond character in the metal-carbon linkage of the NHC complex, and the second, considers the change in the hybridization of the carbenoid carbon to incorporate more p character. The latter hypothesis is supported by the results. Analysis of these complexes using the natural bond orbital method evinces NHC ligands possessing trans influence. |
| Page Count | 48 |
| File Format | |
| Archival Resource Key | ark:/67531/metadc4792 |
| Language | English |
| Publisher Date | 2008-12-16 |
| Publisher Place | Denton, Texas |
| Access Restriction | Open |
| Subject Keyword | carbenes heterocyclic bonding Schrock Fischer Arduengo |
| Content Type | Text |
| Resource Type | Thesis |
