Molybdenum complexes thiocarbonyls

Table 7.3 lists only few experimental data that can be used to estimate the accuracy of the theoretical results. The CCSD(T)/II values agree quite well with experiment (note, however, rather large error bars for the measured BDEs of the thiocarbonyl complexes). The MP2/II values are always larger than their CCSD(T)/n counterparts. The latter values show that the tungsten complexes always have the strongest M-Lbond while, in most cases, the molybdenum species have the lowest BDEs. 

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