Investigations of the steric effect in chemical reactions by utilizing radical clusters

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The H_2O-HOCO cluster has been observed by Fourier-transform microwave spectroscopy for the first time, and it has been observed that a change of distribution of the unpaired electron in the HOCO radical is induced by complex formation with H_2O due to a strong intermolecular interaction. It has been revealed that the unpaired electron in the HOCO radical plays an important role in the strong attractive force ; a dependence of the attractive forces with respect to the relative configuration between H_2O and HOCO can be ascribed to that of the shape of SOMO of the HOCO radical.Intermolecular potential energy surfaces of NO and OH between Ne, Ar, and Kr have been investigated. It has been revealed that the shape of the intermolecular potential energy surfaces of the diatomic radicals which have degenerate highest occupied molecular orbital (HOMO) are in good agreement with the shape of the singly occupied molecular orbital (SOMO).