Ionic Organic-Inorganic (C6h10n2) (Hg2cl5)(2)Center Dot 3h(2)O Compound: Structural Study, Hirshfeld Surface, Thermal Behavior And Spectroscopic Studies

JOURNAL OF MOLECULAR STRUCTURE(2019)

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摘要
A novel organic-inorganic hybrid material (C6H10N2)(Hg2Cl5)(2)center dot 3H(2)O has been prepared under hydro thermal conditions. It is characterized by single crystal X-ray diffraction, thermal analysis and spec-troscopy measurements (IR, Raman and NMR). The structural analysis revealed that this material crystallizes in the monoclinic system (C 2/c space group) with the following unit cell parameters a = 19.6830(15) angstrom, b = 18.1870(15) angstrom, c = 6.8567(6) angstrom, beta = 93.224(3) degrees and Z = 4. According to the data collected at 150(2) K, the refinement converged to R = 0.0296. The atomic arrangement can be described as an alternation of cationic [C6H10N2](2+)center dot H2O and anionic [Hg2Cl5](-) layers along the c axis. In fact, a three-dimensional cohesion, which leads to these peridinium complexes, involves (N-H***Cl) (N-H***O) (O-H***O) and pi-pi interactions. Furthermore the FT-IR, Raman and NMR-MAS confirm the presence of organic and inorganic entities. Finally, the differential scanning calorimetry revealed several endothermic peaks. (C) 2018 Elsevier B.V. All rights reserved.
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关键词
Organic-inorganic hybrid,X-ray diffraction,Hirshfeld surface,FT-IR,FT-Raman spectroscopy and NMR
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