Quantum-Mechanical and Solvatochromic Characterization of Quercetin

Quercetin was subjected to a quantum-mechanical analysis and energetic and electro-optic parameters were evaluated. A solvatochromic study was used to estimate the dipole moment of quercetin in the excited state and to determine the angle between the dipole moments of this molecule in the electronic...

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Bibliographic Details
Published inAnalytical letters Vol. 50; no. 17; pp. 2725 - 2739
Main Authors Morosanu, Ana Cezarina, Benchea, Andreea Celia, Babusca, Daniela, Dimitriu, Dan Gheorghe, Dorohoi, Dana Ortansa
Format Journal Article
LanguageEnglish
Published Abingdon Taylor & Francis 22.11.2017
Taylor & Francis Ltd
Subjects
Absorption spectra
Dipole moments
Electron states
Flavonoids
Mechanical analysis
Mechanical properties
quantum-mechanical calculations
quercetin
solvatochromic study
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Summary:Quercetin was subjected to a quantum-mechanical analysis and energetic and electro-optic parameters were evaluated. A solvatochromic study was used to estimate the dipole moment of quercetin in the excited state and to determine the angle between the dipole moments of this molecule in the electronic states responsible for the visible absorption band. The contribution of each type of intermolecular interactions to the total spectral shift experimentally recorded in quercetin solution was also established in this study.
ISSN:0003-2719
1532-236X
DOI:10.1080/00032719.2017.1291657