Intramolecular and intermolecular interactions in N-methylformamide-water mixture: X-ray scattering and DFT calculation study
Intramolecular and intermolecular interactions in N-methylformamide-water mixture: X-ray scattering and DFT calculation study
复制标题
DOI：
10.1016/j.molliq.2011.10.021
复制
发表时间：
2012-01-01
影响因子：
6
通讯作者：
Nasr, Salah
中科院分区：
文献类型：
--
作者：
Chebaane, Abir;Hammami, Ferid;Nasr, Salah
用X射线散射和密度泛函理论计算研究了等化学计量比N-甲基磺胺-水混合物中形成氢键的竞争性(S)。对实验数据进行了分析，得到了溶液的结构因子S-M(Q)和对关联函数g(R)。在各种各样的一些考虑的星团中，我们的X射线测量清楚地表明了形成包含一个以上氢键的聚集体的可能性。(C)2011爱思唯尔B.V.保留所有权利。
X-ray scattering and DFT calculations were performed to study the competitiveness of the formation of hydrogen bond(s) in equal stoechiometric N-methylfonnamide-water mixture. The experimental data were analyzed to yield the structure factor S-M(q) and the pair correlation function g(r) of the solution. Among a wide variety of some considered clusters, our X-ray measurements clearly showed the possibility of the formation of aggregates containing more than one hydrogen bond. (C) 2011 Elsevier B.V. All rights reserved.