Literature DB >> 16853054

Neutron scattering experiments on fully deuterated liquid N-methylformamide DCONDCD3 at various temperatures and under pressure. Comparison to X-ray results.

Férid Hammami1, Salah Nasr, Marie-Claire Bellissent-Funel, Mohamed Oumezzine.   

Abstract

Neutron scattering experiments are performed on fully deuterated liquid N-methylformamide (C2D5NO) at various temperatures and under pressure. The recorded data at atmospheric pressure and room temperature are analyzed to yield the molecular form factor and the distinct pair correlation function. Our measurements clearly show that the hydrogen-bond network, of which the parameters are deduced, persists locally in the liquid. The experimental structure factor could be explained in terms of short-range crystal structure. The r(N...O) distance decreases with increasing temperature from 293 to 398 K, whereas no significant variation of the intermolecular structure is detected when varying pressure from 1 bar to 4 kbar. Along the study, some comparison is made with complementary X-ray results.

Entities:  

Year:  2005        PMID: 16853054     DOI: 10.1021/jp0502095

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  3 in total

1.  Structural investigations of N-methylformamide-water mixtures at various concentrations.

Authors:  Ferid Hammami; Abir Chebaane; Mohamed Bahri; Salah Nasr
Journal:  Eur Phys J E Soft Matter       Date:  2013-11-21       Impact factor: 1.890

2.  H-Bonding network in fully deuterated N-methylformamide-water mixtures as studied by neutron scattering. Complementarity to X-ray study.

Authors:  Abir Chebaane; Ferid Hammami; Salah Nasr; Mohamed Bahri; Marie-Claire Bellissent-Funel
Journal:  Eur Phys J E Soft Matter       Date:  2015-01-29       Impact factor: 1.890

3.  Development of a polarizable intermolecular potential function (PIPF) for liquid amides and alkanes.

Authors:  Wangshen Xie; Jingzhi Pu; Alexander D Mackerell; Jiali Gao
Journal:  J Chem Theory Comput       Date:  2007       Impact factor: 6.006

  3 in total

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