Abstract Time-of-flight (TOF) neutron diffraction, X-ray diffraction and attenuated total reflection infrared (ATR-IR) spectroscopic measurements have been carried out for pure deuterated dimethylsulfoxide (DMSO-d6), concentrated 20 mol% lithium bis(trifluorosulfonyl)amide (LiTFSA) –DMSO-d6 , 14 mol% LiCl-DMSO and 3 mol% NiCl2-DMSO solutions in order to obtain the relationship between intramolecular S=O bond length (rSO) and its stretching vibrational frequency (νSO) in the liquid state. The S=O bond length of DMSO molecule has been determined from the least squares fitting analysis of neutron and X-ray total interference terms observed in the high-Q region. The νSO-rSO plot involving the present results and experimental data reported for gaseous and crystalline DMSO as well as DMSO complexes with metal ions, has indicated that the νSO-rSO relationship is well approximated by a linear function. The value dνSO/drSO = -3600 ± 400 cm-1Å-1 was obtained from slope of the fitted function. It has been revealed that the S=O bond length of DMSO molecule sensitively reflects intermolecular interactions receiving from its environment.
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