Journal
CHEMICAL PHYSICS LETTERS
Volume 565, Issue -, Pages 40-44Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2013.02.017
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Funding
- FAPESP (Fundacao de Amparo a Pesquisa do Estado de Sao Paulo - Brazil)
- ISIS
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20% N-methylformamide (NMF) mixtures with water and with dimethylsulfoxide (DMSO) have been studied. A comparison between the hydrogen bonding (H-bond) donation of N-methylformamide with both solvents in the mixtures is presented. Results of radial distribution functions, pair distribution energies, molecular dipole moment correlation, and geometry of the H-bonded species in each case are shown. The results indicate that the NMF - solvent H-bond is significantly stronger with DMSO than with water. The solvation shell is best organized in the DMSO mixture than in the aqueous one. (C) 2013 Published by Elsevier B.V.
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