Two methyl internal rotations of 2-acetyl-4-methylthiophene explored by microwave spectroscopy and quantum chemistry.
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:
05 Nov 2022
05 Nov 2022
Historique:
received:
16
12
2021
revised:
09
06
2022
accepted:
12
06
2022
pubmed:
8
7
2022
medline:
8
7
2022
entrez:
7
7
2022
Statut:
ppublish
Résumé
The microwave spectrum of 2-acetyl-4-methylthiophene (2A4MT) was recorded in the frequency range from 2 to 26.5 GHz using a molecular jet Fourier transform microwave spectrometer, revealing two conformers, syn and anti. Both methyl groups in the molecule, the acetyl methyl and the ring methyl groups, undergo internal rotation, causing resolvable splittings of all rotational transitions into quintets. The torsional barriers determined for the acetyl methyl and the ring methyl rotors are 324.919(94) cm
Identifiants
pubmed: 35797884
pii: S1386-1425(22)00654-0
doi: 10.1016/j.saa.2022.121505
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
121505Informations de copyright
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