New Members of the Family of l-Cysteine-Based Nonlinear Optical Crystals-(l-CysH)I, (l-CysH)I·H2O and (l-CysH···l-Cys)I·0.5H2O | Sciact - CRIS-system of Boreskov Institute of Catalysis

New Members of the Family of l-Cysteine-Based Nonlinear Optical Crystals-(l-CysH)I, (l-CysH)I·H2O and (l-CysH···l-Cys)I·0.5H2O Full article

Journal

Journal of Molecular Structure
ISSN: 0022-2860

Output data

Year: 2023, Volume: 1276, Article number : 134758, Pages count : 11 DOI: 10.1016/j.molstruc.2022.134758

Tags

L-Cysteine; Iodides; Dimeric cation; Crystal structure; Vibrational spectra; Short hydrogen bond; SHG.

Authors

Ghazaryan V.V. ¹ , Giester G. ² , Minkov V.S. ³ , Apreyan R.A. ¹ , Boldyreva E.V. ^4,5 , Petrosyan A.M. ¹

Affiliations

1	Institute of Applied Problems of Physics, NAS of Armenia, 25 Nersessyan str., 0014 Yerevan, Armenia
2	Institute of Mineralogy and Crystallography, University of Vienna, Josef-Holaubek-Platz 2, A-1090, Vienna, Austria
3	Max-Planck-Institut für Chemie, Hahn-Meitner Weg 1, 55128, Mainz, Germany
4	Boreskov Institute of Catalysis SB RAS, Lavrentieva ave., 5, Novosibirsk 630090, RF
5	Novosibirsk State University, 2 Pirogov str., Novosibirsk 630090, RF

Funding (3)

1	Armenian National Science & Education Fund	matsc-3822
2	State Committee of Science	15RF-007
3	Russian Foundation for Basic Research	15-53-05023 (115042410027)

The salts formed in the l-cysteine–HI–H2O system were studied. Three salts were obtained as single crystals, namely, anhydrous l-cysteinium iodide (l-CysH)I, l-cysteinium iodide monohydrate (l-CysH)I·H2O and l-cysteinium···l-cysteine iodide hemihydrate (l-CysH···l-Cys)I·0.5H2O, which is a new salt with dimeric cation. Crystal structures of all three salts were solved: anhydrous and hydrated iodides crystallize in the orthorhombic space group P212121, whereas (l-CysH···l-Cys)I·0.5H2O crystallizes in the monoclinic space group I2. The dimeric cation is formed by a very short O–H···O hydrogen bond with (O···O) of 2.436(3) Å. The crystal structures were compared with those of other crystalline l-cysteine halogenides l-CysH(l-CysH···l-Cys)F(F···HF), (l-CysH···l-Cys)Cl, (l-CysH···l-Cys)Br, (l-CysH)Br·H2O (previously studied by us), and (l-CysH)Cl·H2O (previously reported in literature). In addition to crystal structure analysis by X-ray diffraction techniques, infrared and Raman spectra were registered and discussed. Second harmonic generation characteristics by these iodides were measured for powders and compared with those reported for chlorides and bromides.

Ghazaryan V.V. , Giester G. , Minkov V.S. , Apreyan R.A. , Boldyreva E.V. , Petrosyan A.M.
New Members of the Family of l-Cysteine-Based Nonlinear Optical Crystals-(l-CysH)I, (l-CysH)I·H2O and (l-CysH···l-Cys)I·0.5H2O
Journal of Molecular Structure. 2023. V.1276. 134758 :1-11. DOI: 10.1016/j.molstruc.2022.134758 WOS WOS Scopus РИНЦ AN OpenAlex

Submitted:	Oct 13, 2022
Accepted:	Dec 5, 2022
Published online:	Dec 7, 2022
Published print:	Mar 15, 2023

Web of science:	WOS:000905139400009 \| WOS:000912407200001
Scopus:	2-s2.0-85144267007
Elibrary:	54354581
Chemical Abstracts:	2022:3176052
OpenAlex:	W4312054490

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Web of science	3
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