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Molecular association in dimethyl sulfoxide-nitromethane mixtures: Raman spectroscopy and quantum-chemical calculations

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Abstract

Dimethyl sulfoxide-nitromethane (DMSO-NM) binary mixtures have been studied. Intermolecular associates are formed in these mixtures via the interaction between DMSO and NM molecular dipoles and hydrogen bonding. Ab initio calculations have been carried out at the MP2 perturbation theory level using the 6-31G(d, p) basis set to determine the optimal ground state geometry for DMSO complexes with NM and correctly assign new vibrational bands of molecules in various types of mixed intermolecular associates.

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Authors and Affiliations

  1. Ufa State Technical University of Aviation, Ufa, Bashkortostan, Russia

    A. S. Krauze, M. T. Khatmullina & L. V. Rabchuk

Authors
  1. A. S. Krauze
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  2. M. T. Khatmullina
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  3. L. V. Rabchuk
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Additional information

Original Russian Text © A.S. Krauze, M.T. Khatmullina, L.V. Rabchuk, 2007, published in Zhurnal Fizicheskoi Khimii, 2007, Vol. 81, No. 8, pp. 1437–1441.

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Krauze, A.S., Khatmullina, M.T. & Rabchuk, L.V. Molecular association in dimethyl sulfoxide-nitromethane mixtures: Raman spectroscopy and quantum-chemical calculations. Russ. J. Phys. Chem. 81, 1267–1270 (2007). https://doi.org/10.1134/S003602440708016X

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  • DOI: https://doi.org/10.1134/S003602440708016X

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