Hydrogen bonding donation of N-methylformamide with dimethylsulfoxide and water
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Data
2013-04-05
Autores
Borges, Alexandre [UNESP]
Cordeiro, João M.M. [UNESP]
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Resumo
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. © 2013 Elsevier B.V. All rights reserved.
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H-bonded, Molecular dipole moment, N-methylformamide, Pair distributions, Radial distribution functions, Solvation shell, Mixtures, Hydrogen bonds
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Chemical Physics Letters, v. 565, p. 40-44.