THEORETICAL-STUDIES OF THE M-CO BOND LENGTHS AND 1ST DISSOCIATION-ENERGIES OF THE TRANSITION-METAL HEXACARBONYLS CR(CO)(6), MO(CO)(6) AND W(CO)(6)

Quantum mechanical ab initio calculations at the CCSD(T) level of theory using MP2 optimized geometries and effective core potentials for the metals predict M-CO bond lengths and first dissociation energies which are in excellent agreement with experimental results obtained from gas phase experiments for MO(CO)6 and W(CO)6.