Synthesis, structural characterization, thermal stability, vibrational spectra and density functional theoretical studies of 1,3-bis(carboxymethyl)imidazolium nitrate ionic liquid

被引：2

作者：

Liu, Xiaomeng ^{[1
]}

Tong, Yayan ^{[1
]}

Wang, Ajing ^{[1
]}

Xuan, Xiaopeng ^{[1
]}

机构：

[1] Henan Normal Univ, Collaborat Innovat Ctr Henan Prov Green Mfg Fine, Key Lab Green Chem Media & React, Minist Educ,Sch Chem & Chem Engn, Xinxiang 453007, Peoples R China

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2017年 / 246卷

基金：

中国国家自然科学基金;

关键词：

1,3-Bis(carboxymethyl)imidazolium nitrate; Crystal structure; Vibrational spectra; Thermal stability; Hydrogen bond; MOLECULAR-STRUCTURE; HYDROGEN-BONDS; CRYSTAL-STRUCTURE; SOLID-STATE; HOMO-LUMO; FT-RAMAN; NMR; UV; NLO; NBO;

D O I：

10.1016/j.molliq.2017.09.069

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this paper, 1,3-bis(carboxymethyl)imidazolium nitrate was prepared, and its structure was also determined by a single-crystal X-ray diffraction. Its FT-infrared and Raman spectra were measured and reported. The crystal structure and the type of O-H center dot center dot center dot O hydrogen bonds were analyzed on the basis of the vibrational spectroscopy and Density Functional Theory (DFF) calculation. Additionally, thermal stability of 1,3-bis(carboxymethyl)imidazolium nitrate and its decomposition process were discussed. (C) 2017 Elsevier B.V. All rights reserved.

引用

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页码：173 / 177

页数：5

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