THEORETICAL AND SPECTRAL STUDY OF VITAMIN B3 IN POLAR SOLVENTS

CRISTINA MARCELA RUSU*#, CLAUDIA NĂDEJDE

Faculty of Physics, “Alexandu Ioan Cuza” University of Iași, 11, Carol I Blvd, 700506, Iași, Romania

The aim of this paper was the study of polar solvents influence on the electronic absorption spectra of vitamin B3 based on Abe’s theory. The values of some electro-optical parameters such as the dipole moment and polarizability of the vitamin B3 in the ground state were calculated by molecular modeling technique. The interpretation of spectral data according to Abe’s model allowed the estimation of the compound polarizability and dipole moment in the first excited state.

Corresponding author’s e-mail: crina.rusu@yahoo.com

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