Thermal stability and kinetic lability of the metal carbonyl bond. A theoretical study on M(CO)6 (M = chromium, molybdenum, tungsten), M(CO)5 (M = iron, ruthenium, osmium), and M(CO)4 (M = nickel, palladium, platinum)

• Published in: Journal of the American Chemical Society Vol. 109; no. 16; pp. 4825 - 4837
• Main Authors: Ziegler, Tom, Tschinke, Vincenzo, Ursenbach, Charles
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 01.08.1987
• Subjects: Atomic and molecular physics; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations); Density-functional theory; Electronic structure of atoms, molecules and their ions: theory; Exact sciences and technology; Physics; Cationic complex; Inorganic ligand; Phosphine; Dinitrogen complex; Organic phosphine; Organic ligand; Theoretical study; Transition metal Carbonyl; Anionic complex; Transition metal Carbonyl Complexes; Inorganic compound; Vanadium Carbonyl Complexes; Density functional; Binding energy; Manganese Carbonyl Complexes; Tertiary amine; Organic arsine; Carbon monosulfide
• ISSN: 0002-7863; 1520-5126
• DOI: 10.1021/ja00250a013