Preliminary rovibrational analysis of the nν6+ν1−nν6 vibration in HCN⋅⋅⋅HF

Abstract

A preliminary rotation‐vibration analysis of the n=0 and n=1 subbands associated with the nν₆+ν₁−nν₆ hydrogen‐bonded vibration in HCN⋅⋅⋅HF has been completed. The following excited state rotational constants B′ and band origin frequencies ν₀ have been determined for the complex. The results are consistent with a rotation‐vibration interaction constant α₁=−68.3±1 MHz which correlates with an excited state r(N⋅⋅⋅F) internuclear distance of 2.762 Å, a decrease of 0.034 Å relative to the ground state. Excited state lifetimes associated with assigned transitions are demonstrated to be ≥1.8×10⁻¹⁰s while the x₁₆ anharmonic constant is evaluated to be 4.01±0.03 cm⁻¹.