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

Table 5

Mo=O and O–O stretching, and Cp’s C–H OOP bending frequencies for .

	/cm^−1	/cm^−1	/cm^−1	Mo=O^[a]/Å	O–O^[a]/Å
M06L	976.99	967.87	9.12	1.685	1.427
M06	1028.87	1044.62	−15.75	1.669	1.404
M06-2X	1084.30	1065.57	18.73	1.656	1.409
Expt.	952.7^[b]			1.689	1.440

^[a]Bond lengths are taken from the work of Hauser et al. [38]. ^[b]From the work of Hauser et al. [39], no assignment was made by them. We believe that Mo=O and O–O band may not be resolved, as the next strong band is at 891 cm⁻¹.