Infrared spectroscopy of HCN-salt complexes formed in liquid-helium nanodroplets.
Rotationally resolved infrared spectra are reported for the binary complexes of HCN and LiF, LiCl, NaF, and NaCl, formed in helium nanodroplets. Stark spectroscopy is used to determine the dipole moments for these complexes. Ab initio calculations are also reported for these complexes, revealing the existence of several different isomers of these binary systems. In the frequency region examined in this experimental study we only observe one of these, corresponding to the salt binding to the nitrogen end of the HCN molecule. The experimental rotational constants, dipole moments, and vibrational frequency shifts are all compared with the results from ab initio calculations for this isomer.
Department of Chemistry, University of North Carolina, Chapel Hill, 27599, USA. wklewis@email.unc.edu
William K
WK
Lewis
Roger E
RE
Miller