Vibrational spectra and valence force field of crystalline V2O5

Anomalous lattice behavior of vanadium pentaoxide (V2O5): X-ray diffraction, inelastic neutron scattering and ab initio lattice dynamics

“…There exists a band gap in the phonon spectra from 110-120meV, which is also observed in previously reported IR and Raman measurements [46][47][48] negligibly small in these phonon modes. As interlayer spacing is found to be correctly reproduced by inclusion of the van der Waals and Hubbard interaction, the calculated energies of these modes are in good agreement with the experimental data.…”

“…The zone-centre phonon spectrum of α-V 2 O 5 has been studied by spectroscopic experiments [44][45][46][47][48][49][50] and calculations based on density functional perturbation methods [51][52][53][54] . The calculated stretching modes frequencies in these studies are found to be either overestimated or underestimated depending upon the type of exchange correlation used.…”

Vanadium oxide supported on porous clay heterostructure for the partial oxidation of hydrogen sulphide to sulfur

“…The spectra of samples with V-loading higher than 8wt.% of V content show bands at 998, 706, 530, 489, 410, 305, 289, 203 and 159 cm -1 . These bands refer to the vibrational modes of crystalline V2O5 [24,25]. However, the samples with V-loading lower than 8wt.% of V do not present bands, which suggests a high dispersion of the active phase over PCH.…”

Synthesis and selected properties of a new solid solution in the Zn2FeV3O11–Mg2FeV3O11 system

“…At this wave number range one can expect the occurrence of absorption bands related with stretching vibrations of V-O bonds in highly distorted VO 4 and VO 5 polyhedra [5,9,[21][22][23]. A shoulder at 1,010 cm -1 most probably can be ascribed to stretching vibration of the shortest V-O bond in VO 5 trigonal bipyramids characteristic for crystal structure of both Zn 2 FeV 3 O 11 and Mg 2 FeV 3 O 11 [9,21].…”

“…It has two maxima at 744 and 650 cm -1 and two shoulders at 822 and 570 cm -1 . Band lying within the wave number range of 920-600 cm -1 may be related with the stretching vibrations in moderately distorted VO 4 tetrahedra [5,[21][22][23]. On the other hand, absorption bands below 600 cm can be ascribed to stretching vibrations in ZnO x , MgO x , and FeO x polyhedra and to bending vibrations in VO x polyhedra [5,9,20,[22][23][24].…”