Abstract
Quantum-chemical methods are used to calculate electronic-absorption spectra, dipole moments, and atomic-charge distributions of aromatic amino acids in aqueous solutions at various concentrations. The electronic-absorption spectra are analyzed and compared with the spectra that are calculated for gas phase. The bathochromic shift of the spectral position is shown for the long-wavelength absorption peak of the singlet-singlet transition for aqueous solutions of amino acids.
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Original Russian Text © M.I. Migovich, V.A. Kel’man, 2014, published in Optika i Spektroskopiya, 2014, Vol. 117, No. 2, pp. 207–213.
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Migovich, M.I., Kel’man, V.A. Quantum-chemical calculations of electronic-absorption spectra of aromatic amino acids in aqueous solution. Opt. Spectrosc. 117, 194–200 (2014). https://doi.org/10.1134/S0030400X14080190
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DOI: https://doi.org/10.1134/S0030400X14080190