Research Article

Assignment of O–O and Mo=O Stretching Frequencies of Molybdenum/Tungsten Complexes Revisited

Table 10

Results of O–O stretches for variuos Molybdenum and Tungsten complexes.

Complex[a]LabelO–OScaled (cm−1) by
Expt.CalculatedLinear model[b]0.96130.9595[c]

CpMo(η2-O2)OCH31877[d]963.92926.12926.62925.27
Mo(η2-O2)OCl4884[e]953.84914.14916.93915.59
CpMo(η2-O2)OC≡C-Ph5930–950[f]958.05919.14920.97919.63
W(η2-O2)OCH36860[g]926.13881.20890.29888.99
W(η2-O2)OCH2Si(CH3)38868[g]923.74878.36887.99886.70
99870[h]940.32898.07903.93902.61
951.49911.35914.67913.34

[a]Refer to Table 9 for molecular structure. [b]Linear equation is with a of 0.5801. [c]From the work of Kesharwani et al. for M06L/def2-TZVP [35]. [d]Al-Ajlouni et al.; see [30]. [e]Trost and Bergman; see [42]. [f]Chandra et al.; see [43]. [g]Legzdins et al.; see [31]. [h]Thiels and Eppinger; see [44].