Research output: Contribution to journal › Article › peer-review
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. / Ghazaryan, V. V.; Giester, G.; Minkov, V. S. et al.
In: Journal of Molecular Structure, Vol. 1276, 134758, 15.03.2023.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - 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
AU - Ghazaryan, V. V.
AU - Giester, G.
AU - Minkov, V. S.
AU - Apreyan, R. A.
AU - Boldyreva, E. V.
AU - Petrosyan, A. M.
N1 - This work was supported also by the RA MES State Committee of Science and Russian Foundation for Basic Research (RF) in the frames of the joint research projects SCS 15RF-007 and RFBR 15-53-05023. This work was supported in part by a research grant matsc-3822 from the Armenian National Science and Education Fund (ANSEF) based in New York, USA.
PY - 2023/3/15
Y1 - 2023/3/15
N2 - 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.
AB - 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.
KW - Crystal structure
KW - Dimeric cation
KW - Iodides
KW - L-Cysteine
KW - SHG
KW - Short hydrogen bond
KW - Vibrational spectra
UR - https://www.scopus.com/inward/record.url?eid=2-s2.0-85144267007&partnerID=40&md5=8ac2f9436a92c932acf1796488913343
UR - https://www.mendeley.com/catalogue/8cef211f-ea69-375a-8834-2657d75bbf5c/
U2 - 10.1016/j.molstruc.2022.134758
DO - 10.1016/j.molstruc.2022.134758
M3 - Article
VL - 1276
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
M1 - 134758
ER -
ID: 49450644