Abstract
The title mol-ecular salt, (C7H11N2)2[Hg2Cl6], crystallizes with two 4-(di-methyl-amino)-pyridinium cations (A and B) and two half hexa-chlorido-dimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r.m.s. deviations of 0.0028 and 0.0109 Å), which forms an inclined dihedral angle with the dimethyamino group [3.06 (1) and 1.61 (1)°, respectively]. The di-methyl-amino groups in the two cations are planar, and the C-N bond lengths are shorter than that in 4-(di-methyl-amino)-pyridine. In the crystal, mixed cation-anion layers lying parallel to the (010) plane are formed through N-H⋯Cl hydrogen bonds and adjacent layers are linked by C-H⋯Cl hydrogen bonds, forming a three-dimensional network. The analyses of the calculated Hirshfeld surfaces confirm the relevance of the above inter-molecular inter-actions, but also serve to further differentiate the weaker inter-molecular inter-actions formed by the organic cations and inorganic anions, such as π-π and Cl⋯Cl inter-actions. The powder XRD data confirms the phase purity of the crystalline sample. Furthermore, the vibrational absorption bands were identified by IR spectroscopy and the optical properties were studied by using optical UV-visible absorption spectroscopy.
Highlights
The title molecular salt, (C7H11N2)2[Hg2Cl6], crystallizes with two 4-(dimethylamino)pyridinium cations (A and B) and two half hexachloridodimercurate(II) anions in the asymmetric unit
In the crystal, mixed cation–anion layers lying parallel to the (010) plane are formed through N—HÁ Á ÁCl hydrogen bonds and adjacent layers are linked by C—HÁ Á ÁCl hydrogen bonds, forming a threedimensional network
The analyses of the calculated Hirshfeld surfaces confirm the relevance of the above intermolecular interactions, and serve to further differentiate the weaker intermolecular interactions formed by the organic cations and inorganic anions, such as – and ClÁ Á ÁCl interactions
Summary
Hybrid organic–inorganic materials have been widely studied in recent years for their promising applications in different fields, including catalysis, magnetism and optics and for their luminescence properties (Clement et al, 1994; Rabu et al, 2001; Hu et al, 2003; Morris et al, 2008). Hybrids based on mercury have been synthesized and characterized with simple, different techniques, thanks to their self-assembling character (Mitzi et al, 2001) and are very interesting both for fundamental physics exploration such as electronic confinement (Wei et al, 2015) or as low-dimensional magnetic systems (Fersi et al, 2015) and diversify the field of technological applications. The ability of the anions in this class of compounds to exhibit a wide range of geometry, stoichiometry and connectivity has long been known (Grdenic, 1965). This flexibility is a result of the large volume and spherical charge distribution of the Hg2+ ion, which are a consequence of the filled 4f and 5d electron shells. As part of our continuing investigation of new hybrid compounds containing an organic cation and an inorganic anion such as CrO42À (Chebbi et al, 2000; Chebbi & Driss, 2001, 2002a,b, 2004), Cr2O72À (Chebbi et al, 2016, Ben Smail et al, 2017), NO3À (Chebbi et al, 2014, 2018) and ClO4À (Chebbi et al, 2017; Ben Jomaa et al, 2018), we report in this work the crystal structure, the Hirshfeld surface analysis and the physicochemical characterization of a new organic chloromercurate(II), (C7H11N2)2[Hg2Cl6] (I)
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