MUTUAL CO-ASSIGNMENT OF THE CALCULATED VIBRATIONAL FREQUENCIES IN THE GROUND AND LOWEST EXCITED ELECTRONIC STATES

摘要

The shifts of the molecular vibrational frequencies when going from the ground electronic state to the lowest excited electronic states pose some problems for the mutual co-assignment of the calculated vibrational frequencies in the different excited states. The trans-C_2O_2F_2 shift of the frequency of the symmetrical v(C=O) stretching vibration between the S_0 and T_1 is 373 cm~(-1).