HF Vapor

IR absorption spectroscopy of HF clusters in synchronized pulsed supersonic jet expansions and at thermal equilibrium is combined with a 1 +2 + 3 body decomposition scheme of the potential energy surfaces, different quantum chemical approaches and multidimensional vibrational quantum Monte Carlo calculations to characterize all major constituents (HF)n (n = 1–8) of the strongly associated HF vapor phase in terms of their structure, spectra, energetics, dynamics and abundance. From this data base, a microscopic quantum statistical model of HF vapor up to moderate pressures is constructed. Comparison to existing bulk thermodynamic data confirms that the model provides a globally correct and detailed microscopic description of this unique association phenomenon together with its explanation.