Article ID Journal Published Year Pages File Type
10575363 Journal of Organometallic Chemistry 2005 11 Pages PDF
Abstract
Ab initio calculations are employed to discuss the quite unusual COD (1,5-cyclooctadiene) group orientation in the homo-bimetallic complex anti-{2,7-dimethyl-as-indacene-diide-[Rh(COD)]2}, which is related to the metal hapticity and is stabilised by the presence of π-hydrogen bonds between olefin protons of COD and the π-electron cloud of the six-membered ring of the bridging ligand. Second-order perturbative natural bond orbital (NBO) analysis provides a meaningful picture of non-covalent intramolecular C-H⋯C(π) interactions.
Related Topics
Physical Sciences and Engineering Chemistry Inorganic Chemistry
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