The infrared spectrum of the F--H-2 anion complex

摘要

The infrared spectrum of F--H-2 is measured over the H-H stretch region. The v(HH) transition occurs at 3220 cm(-1), displaced 940 cm(-1) to lower energy from the H-2 fundamental vibrational transition. A weaker band at 3640 cm-1 is assigned to VHH in combination with the intermolecular stretch vibration (v(HH) + v(s)). The experimental v(HH) frequency agrees with a prediction based on an ab initio H-H potential energy curve calculated at the CCSD(T)/aug-cc-pVQZ level. Absence of resolved rotational structure in the V-HH band suggests that rovibrational lines are lifetime broadened and that F--H-2 in the v(HH) = 1 level predissociates on a < 3 ps timescale. (C) 2004 Elsevier B.V. All rights reserved.