The infrared spectra of the moOCl, moO2Cl2, WOCl, WO2Cl2, MoO2, MoO3 and Mo3O9 gaseous molecules

Vibrational frequencies of transition metal chloride and oxo compounds using effective core potential analytic second derivatives

“…The most definitive spectroscopic studies by Neikirk et al 35 are summarized in Table V. Bands at lower frequencies were reported in Raman studies by Beattie et al 33 A more detailed analysis of the Raman spectrum in 1975 by Kovba and Mal'tsev 31 yielded somewhat different frequencies and apparently remains the only actual assignments of the symmetries of these lower energy bands.…”

“…Assignments for the spectrum of MoO 2 Cl 2 and WO 2 Cl 2 are less complete and there is some disagreement regarding the assignment of some bands. Gas phase IR, 30,35 Raman, 31 and matrix 34 spectra on the four bands at higher energies ͑Ͼ400 cm Ϫ1 ͒ have led to assignments of the four Mo-O and Mo-Cl stretching frequencies.…”

“…Bands at lower frequencies were reported in Raman studies by Beattie et al 33 A more detailed analysis of the Raman spectrum in 1975 by Kovba and Mal'tsev 31 yielded somewhat different frequencies and apparently remains the only actual assignments of the symmetries of these lower energy bands. The bands of WO 2 Cl 2 have also been the subject of gas phase IR, 30,35 Raman, 32 and matrix 34 spectra, but only four bands have been definitively assigned 35 to date.…”

Dehydration, dehydrogenation, and condensation of alcohols on supported oxide catalysts based on cyclic (WO3)3and (MoO3)3clusters

“…Detailed spectroscopic studies (photoelectron spectroscopy (PES), 47,48 infrared (IR) spectroscopy in the gas phase and inert matrixes, [49][50][51][52][53][54][55] mass spectrometry 46,56 ) combined with electronic structure calculations 46,56 have led to the conclusion that both cyclic (WO 3 ) 3 and (MoO 3 ) 3 clusters are planar. As shown in Fig.…”

The formation and stability of molybdenum–antimony and tungsten–antimony ternary oxides Sb2MO6, Sb2M2O9, Sb2Mo3O12 and Sb4MO9 in the gas phase (M = Mo, W). Quantum chemical and mass spectrometric studies

“…3 Here, we additionally compare the experimental and calculated vibration spectra of the gaseous Sb 4 18 The IR spectra have been reported for gas phase molybdenum trioxide. 19 Two clear bands at 974.7 cm −1 and 838.0 cm −1 were observed in the 1050-750 cm −1 range of wave numbers. These frequencies are in good agreement with our calculated values of 992.4 cm −1 and 839.8 cm −1 .…”