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

Elena Balashova; Andrey Zolotarev; Aleksandr A. Levin; Valery Davydov; Sergey Pavlov; Alexander Smirnov; Anatoly Starukhin; Boris Krichevtsov; Hongjun Zhang; Fangzhe Li; Huijiadai Luo; Hua Ke

doi:10.3390/ma16051994

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

Elena Balashova^*
, Andrey Zolotarev
, Aleksandr A. Levin
, Valery Davydov
, Sergey Pavlov
, Alexander Smirnov
, Anatoly Starukhin
, Boris Krichevtsov
, Hongjun Zhang
, Fangzhe Li
, Huijiadai Luo
, Hua Ke

^*Corresponding author for this work

Russian Academy of Sciences
St. Petersburg State University
Harbin Institute of Technology
Harbin Institute of Technology

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

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 ν = 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~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 ≅ 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.

Original language	English
Article number	1994
Journal	Materials
Volume	16
Issue number	5
DOIs	https://doi.org/10.3390/ma16051994
State	Published - Mar 2023
Externally published	Yes

Keywords

Raman scattering
UV-Vis absorption
dielectric properties
phase transitions
photoluminescence
semi-organic crystals
single crystal and powder XRD

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10.3390/ma16051994

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Balashova, E., Zolotarev, A., Levin, A. A., Davydov, V., Pavlov, S., Smirnov, A., Starukhin, A., Krichevtsov, B., Zhang, H., Li, F., Luo, H., & Ke, H. (2023). Crystal Structure, Raman, FTIR, UV-Vis Absorption, Photoluminescence Spectroscopy, TG–DSC and Dielectric Properties of New Semiorganic Crystals of 2-Methylbenzimidazolium Perchlorate. Materials, 16(5), Article 1994. https://doi.org/10.3390/ma16051994

@article{4270c514b299468788c194d032b877cd,

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

abstract = "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 ν = 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 Eg\textasciitilde{}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 Ephoton ≅ 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.",

keywords = "Raman scattering, UV-Vis absorption, dielectric properties, phase transitions, photoluminescence, semi-organic crystals, single crystal and powder XRD",

author = "Elena Balashova and Andrey Zolotarev and Levin, \{Aleksandr A.\} and Valery Davydov and Sergey Pavlov and Alexander Smirnov and Anatoly Starukhin and Boris Krichevtsov and Hongjun Zhang and Fangzhe Li and Huijiadai Luo and Hua Ke",

note = "Publisher Copyright: {\textcopyright} 2023 by the authors.",

year = "2023",

month = mar,

doi = "10.3390/ma16051994",

language = "英语",

volume = "16",

journal = "Materials",

issn = "1996-1944",

publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",

number = "5",

}

Balashova, E, Zolotarev, A, Levin, AA, Davydov, V, Pavlov, S, Smirnov, A, Starukhin, A, Krichevtsov, B, Zhang, H, Li, F, Luo, H & Ke, H 2023, 'Crystal Structure, Raman, FTIR, UV-Vis Absorption, Photoluminescence Spectroscopy, TG–DSC and Dielectric Properties of New Semiorganic Crystals of 2-Methylbenzimidazolium Perchlorate', Materials, vol. 16, no. 5, 1994. https://doi.org/10.3390/ma16051994

TY - JOUR

T1 - Crystal Structure, Raman, FTIR, UV-Vis Absorption, Photoluminescence Spectroscopy, TG–DSC and Dielectric Properties of New Semiorganic Crystals of 2-Methylbenzimidazolium Perchlorate

AU - Balashova, Elena

AU - Zolotarev, Andrey

AU - Levin, Aleksandr A.

AU - Davydov, Valery

AU - Pavlov, Sergey

AU - Smirnov, Alexander

AU - Starukhin, Anatoly

AU - Krichevtsov, Boris

AU - Zhang, Hongjun

AU - Li, Fangzhe

AU - Luo, Huijiadai

AU - Ke, Hua

PY - 2023/3

Y1 - 2023/3

N2 - 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 ν = 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 Eg~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 Ephoton ≅ 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.

AB - 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 ν = 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 Eg~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 Ephoton ≅ 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.

KW - Raman scattering

KW - UV-Vis absorption

KW - dielectric properties

KW - phase transitions

KW - photoluminescence

KW - semi-organic crystals

KW - single crystal and powder XRD

UR - https://www.scopus.com/pages/publications/85149829199

U2 - 10.3390/ma16051994

DO - 10.3390/ma16051994

M3 - 文章

AN - SCOPUS:85149829199

SN - 1996-1944

VL - 16

JO - Materials

JF - Materials

IS - 5

M1 - 1994

ER -

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

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Keywords

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