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Optics and Spectroscopy, 2020, Volume 128, Issue 10, Pages 1488–1491
DOI: https://doi.org/10.21883/OS.2020.10.50019.161-20 (Mi os280) 		 
This article is cited in 4 scientific papers (total in 4 papers)

Spectroscopy of condensed matter

Raman spectra of glycine and their modeling in the discrete-continuum model of water environment

I. V. Krauklisa, A. V. Tuluba, A. V. Golovina, V. P. Chelibanovb

a Faculty of Physics, Lomonosov Moscow State University
b St. Petersburg National Research University of Information Technologies, Mechanics and Optics
Full-text PDF (770 kB) Citations (4)
DOI: https://doi.org/10.21883/OS.2020.10.50019.161-20
Abstract: The Raman spectra of glycine in crystalline form and in aqueous solution were obtained. The model of stabilization of the zwitterion state of glycine with a single water molecule connected by hydrogen bonds with the –COO- and –NH$_3^+$ groups is proposed. It is shown that quantum chemical calculations at the level of B3LYP/6-311++G(3df,2p) using the discrete-continuum model of water environment of glycine complexes Gly + $n$ $\cdot$ H$_2$O ($n$ = 1–3) provide a good description of the Raman spectra of glycine.
Keywords: amino acids, glycine, Raman spectroscopy, density functional theory, water environment.
Received: 29.05.2020
Revised: 29.05.2020
Accepted: 16.06.2020
English version:
Optics and Spectroscopy, 2020, Volume 128, Issue 10, Pages 1598–1601
DOI: https://doi.org/10.1134/S0030400X20100161
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: I. V. Krauklis, A. V. Tulub, A. V. Golovin, V. P. Chelibanov, “Raman spectra of glycine and their modeling in the discrete-continuum model of water environment”, Optics and Spectroscopy, 128:10 (2020), 1488–1491; Optics and Spectroscopy, 128:10 (2020), 1598–1601
Citation in format AMSBIB
\Bibitem{KraTulGol20}
\by I.~V.~Krauklis, A.~V.~Tulub, A.~V.~Golovin, V.~P.~Chelibanov
\paper Raman spectra of glycine and their modeling in the discrete-continuum model of water environment
\jour Optics and Spectroscopy
\yr 2020
\vol 128
\issue 10
\pages 1488--1491
\mathnet{http://mi.mathnet.ru/os280}
\crossref{https://doi.org/10.21883/OS.2020.10.50019.161-20}
\elib{https://elibrary.ru/item.asp?id=44154149}
\transl
\jour Optics and Spectroscopy
\yr 2020
\vol 128
\issue 10
\pages 1598--1601
\crossref{https://doi.org/10.1134/S0030400X20100161}
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  • https://www.mathnet.ru/eng/os/v128/i10/p1488
    • This publication is cited in the following 4 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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    		Optics and Spectroscopy Optics and Spectroscopy
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