期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1100, 期 -, 页码 338-347出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molstruc.2015.07.072
关键词
Amino amides; Benzimidazole; Hydrogen bonds; Crystallography; NMR; IR; QTAIM
资金
- CONACyT [352445]
- [CB-2011-01-169010]
2-[[(Ammoniumacetylamino]methyl)-1H-benzimidazol-3-ium dichloride 4, 2-([(2-ammoniumpropanoyl)amino]methyl)-1H-benzimidazol-3-ium dichloride 5, and 2-a(2-ammonium-3phenylpropanoyl)aminolmethyl)-1H-benzimidazol-3-ium dichloride 6 amino amides were synthesized via condensation of 2AMBZ dihydrochloride with the corresponding amino acid. Compounds 7-12 were obtained by replacing chloride ions (in salts 4-6) with nitrate or tetrachlorozincate ions. The results of Xray diffraction crystallographic studies indicated that the geometries, charges and sizes of the anions are essential for the formation of the strong hydrogen bond interactions of compounds 4, 5, 9-12. Moreover, in most cases, the presence of water and solvent molecules stabilizes the supramolecular structures of these compounds. Nuclear magnetic resonance (NMR) and infrared (IR) spectroscopy indicated that the presence of chloride or tetrachlorozincate anions increases the acidity of the benzimidazolic and amide groups more significantly than the presence of nitrate anions. However, Quantum Theory of Atoms in Molecules (QTAIM) computations of the crystal structures demonstrate that amino amides interact more strongly with NO than with Cl- and ZnC42- anions; this difference explains the spectroscopic results. (C) 2015 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据