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An approach for including the intermolecular part of the zero-point vibrational energy in the calculations of intermolecular interactions is presented. The approach is applied to the water complexes of water, ammonia, dimethyl ether, formaldehyde, formamide, acetone and formic acid adopting a model potential. Effects on structure, interaction energy and intermolecular vibration frequencies are discussed. The model is successful in predicting the experimental far infrared spectra, and provides further insights in the assignment of these spectra.

The water–hydroxyl radical complex was prepared by irradiating peroxy radicals in hydrogen-doped argon matrices. The low water content of the matrices made it possible to observe the fundamental bands of the complexed water molecule. The experimental results are compared with the results from ab initio calculations. The complex rotates around the O–O axis in the matrix.