On the origin of alpha- and beta-agostic distortions in early-transition-metal alkyl complexes
Density functional theory is used to explore the origins of the α- and β-C-H agostic distortions in two isomers of Tp Me2NbCl(MeC≡CPh)(i-Pr), both of which have been characterized experimentally. We first establish that our computational methodology provides a solid foundation on which to build such...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2008
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