Theoretical Studies of Milk: Solvent Effects on the Molecular Properties of Retinoid Compounds

Authors

  • Geórgia Maria A. Junqueira Universidade Federal de Juiz de Fora (UFJF)
  • Renata Carvalho Teixeira Universidade Federal de Juiz de Fora (UFJF)
  • Leandro da Conceição Luiz Universidade Federal de Juiz de Fora (UFJF)
  • Maria Jose V. Bell Universidade Federal de Juiz de Fora (UFJF)
  • Virgílio Carvalho dos Anjos Universidade Federal de Juiz de Fora (UFJF)

DOI:

https://doi.org/10.34019/2674-9688.2020.v2.28632

Keywords:

DFT, PCM, milk, vitamin A

Abstract

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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Published

2020-03-12

Issue

Vol. 2 No. 1 (2020): Quarks: Brazilian Electronic Journal of Physics, Chemistry and Materials Science

Section

Artigos