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Attenuated Total Reflection Fourier Transform Infrared Spectroscopic Study ofDimethyl Sulfoxide Self-Association in Acetonitrile Solutions

机译:二甲基亚砜转化红外光谱研究二甲基亚砜在乙腈溶液中的自缔合作用

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Dimethyl sulfoxide solutions in acetonitrile were studied using the method ofAttenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR FTIR) to elucidate the nature and the quantities of DMSO self-associates in solution. Results obtained are discussed together with earlier evidence of DMSO self-association in the literature. The results of the present study were used to resolve existing controversies in the assignment of bands in the DMSO vibrational spectrum. The structure of the bands due to the skeletal vibrations was found to be complex. It was shown that DMSO molecules in solution associate in cyclic dimers. Two independent calculations were performed to estimate the dimerization constant as well as the respective Gibbs free energy using the data for the SO-stretch and CSC-asymmetric stretch of DMSO.

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