화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.121, No.48, 9385-9391, 2017
The Vibrations of V2O4: Matrix Isolation and Quantum Chemical Calculations
V2O4 was generated in solid Ne and characterized by infrared spectroscopy and additionally by multireference configuration interaction and density functional calculations. Four vibrational transitions at 1003, 731.7, 640.9, and 309.1 cm(-1) (1602) were observed and, based on the calculations, assigned to b(u), a(u), b(u), and b(u) and bu modes, respectively, of the C-2h symmetric structure. The calculated bond distances are in good agreement with the results of previous calculations.