title: H-Bonding network in fully deuterated N-methylformamide-water mixtures as studied by neutron scattering. Complementarity to X-ray study.
abstract: In complementarity with X-ray scattering and as extension of our previous publication, neutron scattering measurements are combined to DFT calculation to investigate the structural features of N-methylformamide-water mixtures (NMF-water) for three water molar fractions x w = 0.5 , 0.66 and x w = 0.75 . The recorded data at atmospheric pressure and room temperature are analyzed to yield the structure factor, the molecular form factor and the pair correlation function. Neutron investigations corroborate the X-ray ones and clearly show that liquid order in solutions is well accounted for by a tetramer. In this cluster, an NMF molecule is connected to three water molecules by one N-D···O and two O-D···O hydrogen bonds.
authors: Laboratoire Physico-Chimie des Matériaux, Département de Physique, Faculté des Sciences de Monastir, Tunis, 5000, Tunisie.
authors: Abir
authors: A
authors: Chebaane
authors: Ferid
authors: F
authors: Hammami
authors: Salah
authors: S
authors: Nasr
authors: Mohamed
authors: M
authors: Bahri
authors: Marie-Claire
authors: MC
authors: Bellissent-Funel
mesh_terms: D017666:Deuterium Oxide / Q000737:chemistry*; D005559:Formamides / Q000737:chemistry*; D006860:Hydrogen Bonding; D033363:Neutron Diffraction; D014961:X-Ray Diffraction
chemical_list: D005559:Formamides; D017666:Deuterium Oxide; C002950:methylformamide
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