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The ReH6[P(C6H5)3]2− ion as a ligand: complexes with M(CO)3 fragments (M = Cr, Mo, W)

✍ Scribed by Jeffrey W. Freeman; Atta M. Arif; Richard D. Ernst

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
677 KB
Volume
240
Category
Article
ISSN
0020-1693

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Quantum mechanical ab initio calculations at the MP2 and CCSD(T) level of theory have been used to investigate the geometries and bond energies of the complexes M(CO) 6±x (H 2 ) x (M = Cr, Mo, W; x = 1, 2, 3). The theoretically predicted M(CO) 5 ±(H 2 ) bond dissociation energies are in excellent ag