Structural analysis of five-coordinate transition metal boryl complexes with different d-electron configurations |
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| Authors: | Lam King Chung Lam Wai Han Lin Zhenyang Marder Todd B Norman Nicholas C |
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| Affiliation: | Department of Chemistry and Open Laboratory of Chirotechnology, Institute of Molecular Technology for Drug Discovery and Synthesis, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon. |
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| Abstract: | The site preference of boryl ligands in five-coordinate transition metal boryl complexes has been investigated with the aid of density functional theory calculations. The preferred site for a boryl ligand depends on the electron count of the complex under consideration. Our studies show that the very strong sigma-donating boryl ligands choose to occupy coordination sites such that those orbitals accommodating metal d electrons have minimal metal-boryl sigma-antibonding character. |
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