Molecular and Supramolecular Structures of Triiodides and Polyiodobismuthates of Phenylenediammonium and Its N,N-Dimethyl Derivative

Shestimerova, T.A.; Golubev, N.A.; Bykov, M.A.; Mironov, A.V.; Fateev, S.A.; Tarasov, A.B.; Turkevych, I.; Wei, Z.; Dikarev, E.V.; Shevelkov, A.V.

Авторы: Shestimerova Tatiana A., Golubev Nikita A., Bykov Mikhail A., Mironov Andrei V., Fateev Sergey A., Tarasov Alexey B., Turkevych Ivan, Wei Zheng, Dikarev Evgeny V., Shevelkov Andrei V.
Журнал: Molecules
Том: 26
Год издания: 2021
Издательство: MDPI
Местоположение издательства: Basel, Switzerland
Первая страница: 2712
Последняя страница: 2726
DOI: 10.3390/molecules26185712
Аннотация: Despite remarkable progress in photoconversion efficiency, the toxicity of lead-based hybridperovskites remains an important issue hindering their applications in consumer optoelectronicdevices, such as solar cells, LED displays, and photodetectors. For that reason, lead-free metalhalide complexes have attracted great attention as alternative optoelectronic materials. In this work,we demonstrate that reactions of two aromatic diamines with iodine in hydroiodic acid producedphenylenediammonium (PDA) and N,N-dimethyl-phenylenediammonium (DMPDA) triiodides,PDA(I3)2⋅2H2O and DMPDA(I3)I, respectively. If the source of bismuth was added, they were convertedinto previously reported PDA(BiI4)2⋅I2 and new (DMPDA)2(BiI6)(I3)⋅2H2O, having band gapsof 1.45 and 1.7 eV, respectively, which are in the optimal range for efficient solar light absorbers. Allfour compounds presented organic–inorganic hybrids, whose supramolecular structures werebased on a variety of intermolecular forces, including (N)H⋅⋅⋅I and (N)H⋅⋅⋅O hydrogen bonds as wellas I⋅⋅⋅I secondary and weak interactions. Details of their molecular and supramolecular structuresare discussed based on single-crystal X-ray diffraction data, thermal analysis, and Raman and opticalspectroscopy.
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