Crystal structure and Hirshfeld surface analysis of <i>catena</i> -poly[4-amino-4 <i>H</i> -1,2,4-triazol-1-ium [lead(II)-tri-μ-bromido]]
Hybrid organic-inorganic perovskites are a group of versatile materials with outstanding performance in photovoltaics, LEDs, lasers, and sensors. The hybrid organic-inorganic compound (4-amino-1,2,4-triazolium)PbBr<sub>3</sub>, or {(C<sub>2</sub>H<sub>5</sub>N<sub>4</sub>)[PbBr<sub>3</sub>]) <sub><i>n</i></sub> , crystallizes in the polar ortho-rhom-bic space group <i>Pna</i>2<sub>1</sub>. Its structure is built from [PbBr<sub>6</sub>] octa-hedra with pronounced trigonal distortion, which are connected through face-sharing to form infinite one-dimensional chains extending along the <i>c-</i>axis direction. These inorganic chains are separated by 4-amino-1,2,4-triazolium cations that establish an extensive network of weak inter-actions, including N-H⋯Br hydrogen bonds as well as C-H⋯Br contacts and N⋯Pb tetrel bonds. Additionally, N-H⋯N inter-actions link neighboring organic cations. The network of inter-molecular contacts was further examined using Hirshfeld surface analysis and two-dimensional fingerprint plots.
Authors
- Sergey O. Malinkin
- Olena Prysiazhna (ORCID: https://orcid.org/0000-0002-4152-7891)
- Olesia I. Kucheriv (ORCID: https://orcid.org/0000-0002-3761-1150)
- Irina A. Golenya (ORCID: https://orcid.org/0000-0002-0044-0087)
- Alexandru‐Constantin Stoica (ORCID: https://orcid.org/0000-0003-3812-2428)
Institutions
- Kyiv National University of Construction and Architecture (UA)
- Taras Shevchenko National University of Kyiv (UA)
- V. Bakul Institute for Superhard Materials (UA)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-11-06
- DOI
- https://doi.org/10.1107/s2056989025009557
- Primary Topic
- Crystallography and molecular interactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00