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 ¹A_u–X¹A_g, 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.