Vibrational dynamics of ethosuximide polymorphs. Infrared absorption and inelastic neutron scattering spectroscopy and model calculations.
Conformers
DFT calculations
Ethosuximide
FTIR spectroscopy
Hydrogen bond
INS spectroscopy
Structure-building interactions
Vibrational dynamic
Journal
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
ISSN: 1873-3557
Titre abrégé: Spectrochim Acta A Mol Biomol Spectrosc
Pays: England
ID NLM: 9602533
Informations de publication
Date de publication:
15 Oct 2022
15 Oct 2022
Historique:
received:
31
01
2022
revised:
11
05
2022
accepted:
02
06
2022
pubmed:
15
6
2022
medline:
28
6
2022
entrez:
14
6
2022
Statut:
ppublish
Résumé
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 NH⋯O, leading to the polymorphic variety of the substance studied.
Identifiants
pubmed: 35700614
pii: S1386-1425(22)00617-5
doi: 10.1016/j.saa.2022.121468
pii:
doi:
Substances chimiques
Ethosuximide
5SEH9X1D1D
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
121468Informations de copyright
Copyright © 2022 The Author(s). Published by Elsevier B.V. All rights reserved.