Polyoxomolybdate formation – A thermodynamic analysis from density functional/PCM calculations

From NiMoO4 to γ-NiOOH: Detecting the Active Catalyst Phase by Time Resolved in Situ and Operando Raman Spectroscopy

“…Therefore, we attribute the peaks at 964 cm –1 , 913 cm –1 , 884 cm –1 , 820 cm –1 , and 733 cm –1 to rod-NiMoO 4 , while the ones at 866 cm –1 and 690 cm –1 and the weak band at 929 cm –1 we account to the flower-NiMoO 4 . Those values agree with previous reported vibration wavenumbers for nickel molybdate and polymolybdates. − The peak at 913 cm –1 is reported for vibrations of molybdates and we assign the peaks at 964 and 884 cm –1 to the symmetric and asymmetric MoO stretching, the peak at 870 cm –1 to the Mo–O–Mo stretching, and the peak at 733 cm –1 to the Mo–O bending.…”

Polyoxometalates in solution: speciation under spotlight

“…1 the species with six and seven Mo atoms, respectively, and the monomer [Mo VI O 4 ] 2À , which are frequently assisted by protons through an aggregation or water condensation mechanism. 153…”

Nucleation mechanisms and speciation of metal oxide clusters

“…Although such assumption involves a strong simplication, we do so based on the widely accepted idea that the monomer is found in relatively high concentrations in the reaction media. 43,45,58 Secondly, we have assumed that, there must be a representation of all species types for each combination as far as the number of metal atoms is concerned. In other words, the nine considered reactions have to contain dimers, trimers, tetramers, ..…”