Quantum 5D bound state calculations for the fully solvated AT 12HF cluster, with the Ar atoms frozen at their icosahedral equilibrium geometry, gave the HF vibrational redshift of 42.46 cm-1. This value is equal to that measured for HF in an Ar matrix, 42.4 cm -1.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry