Vibrational dynamics of ethosuximide polymorphs. Infrared absorption and inelastic neutron scattering spectroscopy and model calculations

被引：1

作者：

Osiecka-Drewniak, Natalia ^{[1
]}

Galazka, Ewa Juszynska ^{[1
,2
]}

Zajac, Wojciech ^{[1
]}

Chudoba, Dorota ^{[3
,4
]}

机构：

[1] Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland

[2] Osaka Univ, Res Ctr Thermal & Entrop Sci, Grad Sch Sci, Suita, Osaka, Japan

[3] Adam Mickiewicz Univ, Fac Phys, PL-61614 Poznan, Poland

[4] Joint Inst Nucl Res, Frank Lab Neutron Phys, Dubna 141980, Russia

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2022年 / 279卷

关键词：

Ethosuximide; Conformers; Hydrogen bond; FTIR spectroscopy; INS spectroscopy; Vibrational dynamic; DFT calculations; Structure-building interactions; KETO-ENOL-TAUTOMERISM; HYDROGEN-BOND; DRUGS; CRYSTAL; SPECTRA; STATE; FORM;

D O I：

10.1016/j.saa.2022.121468

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Commercially available and administered to the patients ethosuximide is a racemic mixture of two enantiomers, each of them exist in different conformations. The presence of the species mentioned are proven by the title experimental methods aided by DFT model calculations. Results of the latter are matched against spectroscopic data by the clustering window analysis. One type of hydrogen bonds exist in the solid forms of ethosuximide NHMIDLINE HORIZONTAL ELLIPSISO, leading to the polymorphic variety of the substance studied.

引用

页数：8

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