首页> 外文期刊>Journal of Molecular Structure >Synthesis, single crystal X-ray structure and vibrational spectroscopic characterization study of a new hybrid material crystal: Bis(2,4,6-trihydroxy-1,3,5-triazin-1-ium) bischloride monohydrate
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Synthesis, single crystal X-ray structure and vibrational spectroscopic characterization study of a new hybrid material crystal: Bis(2,4,6-trihydroxy-1,3,5-triazin-1-ium) bischloride monohydrate

机译:新型杂交材料晶体的合成,单晶X射线结构和振动光谱表征研究:BIS(2,4,6-三羟基-1,3,5-三嗪-1-Ium)双氯化物一水合物

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摘要

A new hybrid material bis(2,4,6-trihydroxy-1,3,5-triazin-1-ium) bischloride monohydrate (2C(3)H(4)N(3)O(3)(+)center dot 2Cl(-)center dot H2O) as a crystal has been synthesized and its structure was identified by single-crystal X-ray diffraction and studied by UV-Vis, FT-IR, FT-Raman and H-1 NMR. The crystal of 2C(3)H(4)N(3)O(3)(+)center dot 2Cl(-)center dot H2O belongs to monoclinic with C-2/m space group system with Z = 4, a = 12.3845 (9) angstrom, b = 17.6236 (14) angstrom, c = 7.0260 (5) angstrom and beta = 115.341 (2)degrees. The UV-Vis spectrum shows that the compound is transparent in visible and UV near visible domains. The FT-IR, FT-RAMAN and H-1 NMR spectra of the crystal were discussed on the basis of crystallographic structure and the results were coherent and provides spectroscopic evidence for the crystal formation. In addition, the thermal decomposition of 2C(3)H(4)N(3)O(3)(+)center dot 2Cl(-)center dot H2O has been also studied by TGA/DTG and DSC techniques and reveals that the material has a good thermal stability with the melting point about 310 degrees C. (C) 2019 Published by Elsevier B.V.
机译:新的杂交材料BIS(2,4,6-三羟基-1,3,5-三嗪-1-1-Ium)双氯化物一水合物(2℃(3)H(4)N(3)O(3)(+)中心点已经合成了作为晶体的2Cl( - )中心点H2O),其结构通过单晶X射线衍射鉴定,并通过UV-Vis,FT-IR,Ft-Raman和H-1 NMR研究。 2C(3)H(4)N(3)o(3)o(+)中心点2Cl(​​ - )中心点H2O属于单斜替氏的Z = 4,a = 12.3845(9)Angstrom,B = 17.6236(14)埃,C = 7.0260(5)Angstrom和Beta = 115.341(2)度。 UV-Vis光谱表明该化合物在可见域附近的可见和UV中是透明的。基于晶体结构讨论晶体的FT-IR,Ft-拉曼和H-1 NMR光谱,结果是相干的,并为晶体形成提供光谱探测。此外,图2C的热分解(3)H(4)N(3)O(3)(+)中央点2CL( - )中心点H2O已经通过TGA / DTG和DSC技术也进行了研究并揭示了材料具有良好的热稳定性,熔点约为310摄氏度C.(c)2019年由Elsevier BV发布

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