Quantum-chemical calculations of electronic-absorption spectra of aromatic amino acids in aqueous solution

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 g...

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Veröffentlicht in:Optics and spectroscopy 2014-08, Vol.117 (2), p.194-200
Hauptverfasser: Migovich, M. I., Kel’man, V. A.
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0030-400X
1562-6911
DOI:10.1134/S0030400X14080190