Abstract
An investigation of the solid-state X-ray structure of the new organic-inorganic compound [C5H14N2](2)PbCl6 center dot 3H(2)O shows a layered organization of the (PbCl6)(4-) anions, with (R2NH2)(+) groups and water molecules developed in the [001] plane at x = (2n + 1)/4. The crystal structure is stabilized by N - H center dot center dot center dot Cl, N - H center dot center dot center dot O, O - H center dot center dot center dot Cl, O - H center dot center dot center dot O, and C - H center dot center dot center dot Cl hydrogen bonds. The powder X-ray diffraction and X-ray photoelectron spectroscopic (XPS) analyses confirm the phase purity of the crystal sample. The intermolecular contacts are quantified using the Hirshfeld surfaces computational method. The major inter-contacts contributing to the Hirshfeld surfaces are H horizontal ellipsis Cl, H horizontal ellipsis H, and O horizontal ellipsis H. The vibrational modes were identified and assigned by IR and Raman spectroscopies. The optical properties were investigated by UV-visible and photoluminescence spectroscopic studies. The compound was characterized by thermal analysis to determine its thermal behavior with respect to the temperature. Finally, X-ray photoelectron spectroscopy analysis is reported for analyzing the surface chemistry of [C5H14N2](2)PbCl6 center dot 3H(2)O.
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