Molecular and Supramolecular Structure of a New Luminescent Hybrid Compound: (C<sub>5</sub>N<sub>2</sub>H<sub>14</sub>)<sub>2</sub>[BiBr<sub>6</sub>]Br·H<sub>2</sub>O

oleh: Andrey V. Bykov, Tatiana A. Shestimerova, Mikhail A. Bykov, Konstantin A. Lyssenko, Vladislav M. Korshunov, Mikhail T. Metlin, Ilya V. Taydakov, Andrei V. Shevelkov

Format: Article
Diterbitkan: MDPI AG 2022-10-01

Deskripsi

The reaction of homopiperazine, C<sub>5</sub>N<sub>2</sub>H<sub>12</sub>, with BiBr<sub>3</sub> in strong hydrobromic acid affords a new organic-inorganic hybrid (C<sub>5</sub>N<sub>2</sub>H<sub>14</sub>)<sub>2</sub>[BiBr<sub>6</sub>]Br·H<sub>2</sub>O. It crystallizes in the orthorhombic space group, <i>Pbca,</i> with unit cell dimensions of <i>a</i> = 15.0775 (2), <i>b</i> = 15.7569 (2), and <i>c</i> = 20.7881 (4) Å, and eight formula units per unit cell. The crystal structure features slightly distorted octahedral BiBr<sub>6</sub><sup>3−</sup> and monoatomic Br<sup>−</sup> anions in the inorganic substructure and C<sub>5</sub>N<sub>2</sub>H<sub>14</sub><sup>2+</sup> dications and adjacent water molecules in the organic substructure. Various weak interactions that include (N)H···Br, (N)H···O, and (O)H···Br hydrogen bonds ensure the assembling of the structural moieties into a 3D supramolecular structure. (C<sub>5</sub>N<sub>2</sub>H<sub>14</sub>)<sub>2</sub>[BiBr<sub>6</sub>]Br·H<sub>2</sub>O shows two emission bands in the photoluminescence spectrum, a rather narrow deep-blue PL at 432 nm, and a broadband red PL centered at 650 nm. Their nature and relations to the crystal structure are discussed in this paper.