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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Investigation on the structure of liquid N-methylformamide-dimethylsulfoxide mixtures

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Author(s):
Cordeiro, Joao M. M. [1] ; Soper, Alan K. [1]
Total Authors: 2
Affiliation:
[1] STFC Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon - England
Total Affiliations: 1
Document type: Journal article
Source: Chemical Physics; v. 381, n. 1-3, p. 21-28, MAR 18 2011.
Web of Science Citations: 12
Abstract

The structures of liquid mixtures of N-methylformamide (NMF) and dimethyl sulfoxide (DMSO) at two concentrations (80% and 50% NMF) are investigated using a combination of neutron diffraction augmented with isotopic substitution and empirical potential structure refinement simulations. The results indicate that the NMF and DMSO molecules are hydrogen-bonded to one another with a preference for NMF-DMSO hydrogen bonding, compared to the NMF-NMF ones. The liquid is orientationally structured as a consequence of these hydrogen bonds between molecules. NMF-DMSO dimers are very stable species in the bulk of the mixture. The structure of the dimers is such that the angle between the molecular dipole moments is around 60 degrees. The NMF molecules are well solvated in DMSO with potential implications for peptides solvation in this solvent. Published by Elsevier B. V. (AU)