Crystal Structure, Raman, FTIR, UV-Vis Absorption, Photoluminescence Spectroscopy, TG-DSC and Dielectric Properties of New Semiorganic Crystals of 2-Methylbenzimidazolium Perchlorate

被引：3

作者：

Balashova, Elena ^{[1
]}

Zolotarev, Andrey ^{[2
]}

Levin, Aleksandr A. A. ^{[1
]}

Davydov, Valery ^{[1
]}

Pavlov, Sergey ^{[1
]}

Smirnov, Alexander ^{[1
]}

Starukhin, Anatoly ^{[1
]}

Krichevtsov, Boris ^{[1
]}

Zhang, Hongjun ^{[3
]}

Li, Fangzhe ^{[4
]}

Luo, Huijiadai ^{[4
]}

Ke, Hua ^{[4
]}

机构：

[1] Ioffe Inst, Politech Skaya 26, St Petersburg 194021, Russia

[2] St Petersburg State Univ, Inst Earth Sci, Univ Skaya Nab 7-9, St Petersburg 199034, Russia

[3] Harbin Inst Technol, Sch Instrument Sci & Engn, Harbin 150080, Peoples R China

[4] Harbin Inst Technol, Sch Mat Sci & Engn, Harbin 150080, Peoples R China

来源：

MATERIALS | 2023年 / 16卷 / 05期

关键词：

semi-organic crystals; single crystal and powder XRD; Raman scattering; UV-Vis absorption; photoluminescence; phase transitions; dielectric properties; ROOM-TEMPERATURE FERROELECTRICITY; MOLECULAR-STRUCTURE; PREFERRED ORIENTATION; LINE-PROFILES; PHOSPHITE; DIFFRACTION; SALTS; PARAMETERS; RIETVELD;

D O I：

10.3390/ma16051994

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：

Single crystals of 2-methylbenzimidazolium perchlorate were prepared for the first time with a slow evaporation method from an aqueous solution of a mixture of 2-methylbenzimidazole (MBI) crystals and perchloric acid HClO4. The crystal structure was determined by single crystal X-ray diffraction (XRD) and confirmed by XRD of powder. Angle-resolved polarized Raman and Fourier-transform infrared (FTIR) absorption spectra of crystals consist of lines caused by molecular vibrations in MBI molecule and ClO4- tetrahedron in the region nu = 200-3500 cm(-1) and lattice vibrations in the region of 0-200 cm(-1). Both XRD and Raman spectroscopy show a protonation of MBI molecule in the crystal. An analysis of ultraviolet-visible (UV-Vis) absorption spectra gives an estimation of an optical gap E-g similar to 3.9 eV in the crystals studied. Photoluminescence spectra of MBI-perchlorate crystals consist of a number of overlapping bands with the main maximum at E-photon approximately equal to 2.0 eV. Thermogravimetry-differential scanning calorimetry (TG-DSC) revealed the presence of two first-order phase transitions with different temperature hysteresis at temperatures above room temperature. The higher temperature transition corresponds to the melting temperature. Both phase transitions are accompanied by a strong increase in the permittivity and conductivity, especially during melting, which is similar to the effect of an ionic liquid.

引用

页数：28

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