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
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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Auteurs

Adam Zając (A)

Department of Bioorganic Chemistry, Faculty of Production Engineering, Wroclaw University of Economics and Business, 118-120 Komandorska str., 53-345 Wrocław, Poland.

Jacek Michalski (J)

Department of Bioorganic Chemistry, Faculty of Production Engineering, Wroclaw University of Economics and Business, 118-120 Komandorska str., 53-345 Wrocław, Poland.

Maciej Ptak (M)

Institute of Low Temperature and Structure Research, 2 Okólna str., 50-422 Wrocław, Poland.

Lucyna Dymińska (L)

Department of Bioorganic Chemistry, Faculty of Production Engineering, Wroclaw University of Economics and Business, 118-120 Komandorska str., 53-345 Wrocław, Poland.

Alicja Z Kucharska (AZ)

Department of Fruit, Vegetable and Plant Nutraceutical Technology, Wrocław University of Environmental and Life Sciences, 37 Chełmońskiego str., 51-630 Wrocław, Poland.

Wiktor Zierkiewicz (W)

Faculty of Chemistry, Wrocław University of Science and Technology, 27 Wybrzeże Wyspiańskiego str., 50-370 Wrocław, Poland.

Jerzy Hanuza (J)

Institute of Low Temperature and Structure Research, 2 Okólna str., 50-422 Wrocław, Poland.

Classifications MeSH