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

Autor(es)

Cordeiro, Joao M. M. ^[1] ; Soper, Alan K. ^[1]

Afiliação do(s) autor(es)

^[1] STFC Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon - England

• Tipo de documento: Artigo Científico
• Fonte: Chemical Physics; v. 381, n. 1-3, p. 21-28, MAR 18 2011.
• Citações Web of Science: 12

Resumo

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)

• Processo FAPESP: 07/07513-2 - Investigação da estrutura da solução NMF-DMSO por difratometria de nêutrons
• Beneficiário: João Manuel Marques Cordeiro
• Modalidade de apoio: Bolsas no Exterior - Pesquisa