Preliminary rovibrational analysis of the <i>n</i>ν6+ν1−<i>n</i>ν6 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.