Rotational contour analysis of the 0 00 band of the A 1Au–X1Ag electronic transition of trans-oxalyl fluoride
Abstract
Computer simulation of the rotational contour of the type C 000 band in the 1Au–X1Ag, S1–S0 high-resolution electronic absorption spectrum of trans-oxalyl fluoride gas at room temperature has resulted in much improved rotational constants compared to previous attempts. Attempts to simulate the 810 hybrid band contour have been less successful, possibly due to Coriolis interaction between ν8 and ν5. No strong evidence has been found for bands due to the cis(or gauche) rotamer, but the general rotational complexity of many of the bands in the system makes a search more difficult.