Open AccessTheoretical Studies of Milk: Solvent Effects on the Molecular Properties of Retinoid Compounds
Author(s) -
Geórgia M. A. Junqueira,
Leandro da Conceição Luiz,
Renata Carvalho Teixeira,
Leandro da Conceição Luiz,
Maria José Valenzuela Bell,
Virgílio Carvalho dos Anjos
Publication year - 2020
Publication title -
quarks brazilian electronic journal of physics chemistry and materials science
Language(s) - English
Resource type - Journals
ISSN - 2674-9688
DOI - 10.34019/2674-9688.2020.v2.28632
Subject(s) - homo/lumo , retinoid , solvent , molecular orbital , chemistry , photochemistry , atomic orbital , excited state , solvent effects , computational chemistry , materials science , organic chemistry , physics , molecule , biochemistry , retinoic acid , gene , atomic physics , electron , quantum mechanics
We discuss here the role of environment in the structural and spectroscopic properties of vitamin A in its retinoid forms: retinol and retinal. The analyzed compounds show three singlet excited states exhibiting wavelengths between 472 and 273 nm according to the medium. The transitions involve HOMO, LUMO, HOMO-1, LUMO and HOMO, LUMO+1 orbitals.
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