Physicochemical Characterization of the Loganic Acid-IR, Raman, UV-Vis and Luminescence Spectra Analyzed in Terms of Quantum Chemical DFT Approach.
IR
Raman spectra
Stokes shift
UV-Vis measurements
loganic acid
luminescence
molecular structure
quantum chemical DFT calculations
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
20 Nov 2021
20 Nov 2021
Historique:
received:
21
09
2021
revised:
12
11
2021
accepted:
16
11
2021
entrez:
27
11
2021
pubmed:
28
11
2021
medline:
28
11
2021
Statut:
epublish
Résumé
The molecular structure and vibrational spectra of loganic acid (LA) were calculated using B3LYP density functional theory, the 6-311G(2d,2p) basis set, and the GAUSSIAN 03W program. The solid-phase FTIR and FT-Raman spectra of LA were recorded in the 100-4000 cm
Identifiants
pubmed: 34834118
pii: molecules26227027
doi: 10.3390/molecules26227027
pmc: PMC8622970
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
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