Affiliation:
1. 1Department of Chemistry and Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602
Abstract
Modern density functional methods, which yield geometrical parameters and energies close to experimental values for known metal carbonyls such as Fe(CO)5 and Fe2(CO)9, have been extended to unsaturated binary binuclear metal carbonyls. Novel optimized structures have been discovered containing metalmetal multiple bonds, four-electron bridging carbonyl groups, and metal electronic configurations less than 18 electrons.
Subject
General Chemical Engineering,General Chemistry
Cited by
23 articles.
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