Hydrogen bonding donation of N-methylformamide with dimethylsulfoxide and water

Borges, Alexandre; Cordeiro, João M.M.

Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/75068

Title:

Hydrogen bonding donation of N-methylformamide with dimethylsulfoxide and water

Author(s):

Institution:

Universidade Estadual Paulista (UNESP)

ISSN:

0009-2614

Abstract:

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.

Issue Date:

5-Apr-2013

Citation:

Chemical Physics Letters, v. 565, p. 40-44.

Time Duration:

40-44

Keywords:

H-bonded
Molecular dipole moment
N-methylformamide
Pair distributions
Radial distribution functions
Solvation shell
Mixtures
Hydrogen bonds

Source:

http://dx.doi.org/10.1016/j.cplett.2013.02.017

URI:

Access Rights:

Acesso restrito

Type:

outro

Source:

http://repositorio.unesp.br/handle/11449/75068

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