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Molecular modeling of ascorbic acid electronic spectra in solutions of different polarity
Author(s): S. A. Kutsenko; Y. S. Danyaeva; S. V. Sitnikova
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Paper Abstract

The results of molecular modeling of ascorbic acid electronic spectra in different solutions are represented. Geometric parameters and characteristics of electronic spectra of an isolated molecule and a molecule in solutions are determined within the framework of two models of solvation. It was shown that the increase of the dipole moment and the dielectric constant of the solvent leads to shift in the spectral bands and a change of the oscillators strength of the electronic transitions.

Paper Details

Date Published: 3 June 2019
PDF: 6 pages
Proc. SPIE 11066, Saratov Fall Meeting 2018: Laser Physics, Photonic Technologies, and Molecular Modeling, 110661C (3 June 2019); doi: 10.1117/12.2522804
Show Author Affiliations
S. A. Kutsenko, Volgograd State Univ. (Russian Federation)
Y. S. Danyaeva, Volgograd State Univ. (Russian Federation)
S. V. Sitnikova, Volgograd State Univ. (Russian Federation)


Published in SPIE Proceedings Vol. 11066:
Saratov Fall Meeting 2018: Laser Physics, Photonic Technologies, and Molecular Modeling
Vladimir L. Derbov, Editor(s)

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