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

Authors

Evgeny V. Dikarev, University at Albany, State University of New York
Zheng Wei, University at Albany, State University of New York
Tatiana A. Shestimerova, Moscow State Lomonosov University
Nikita A. Golubev, Moscow State Lomonosov University
Mikhail A. Bykov, Moscow State Lomonosov University
Andrei V. Mironov, Moscow State Lomonosov University
Sergey A. Fateev, Moscow State Lomonosov University
Alexey B. Tarasov, Moscow State Lomonosov University
Ivan Turkevych, Moscow State Lomonosov University
Andrei V. Shevelkov, Moscow State Lomonosov University

Document Type

Article

Publication Date

9-21-2021

DOI

10.3390/molecules26185712

Abstract

Despite remarkable progress in photoconversion efficiency, the toxicity of lead-based hybrid perovskites remains an important issue hindering their applications in consumer optoelectronic devices, such as solar cells, LED displays, and photodetectors. For that reason, lead-free metal halide 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 produced phenylenediammonium (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 converted into previously reported PDA(BiI₄)₂⋅I₂ and new (DMPDA)₂(BiI₆)(I₃)⋅2H₂O, having band gaps of 1.45 and 1.7 eV, respectively, which are in the optimal range for efficient solar light absorbers. All four compounds presented organic–inorganic hybrids, whose supramolecular structures were based on a variety of intermolecular forces, including (N)H⋅⋅⋅I and (N)H⋅⋅⋅O hydrogen bonds as well as I⋅⋅⋅I secondary and weak interactions. Details of their molecular and supramolecular structures are discussed based on single-crystal X-ray diffraction data, thermal analysis, and Raman and optical spectroscopy

Comments

This is the Publisher’s PDF of the following article made available by Molecules: Shestimerova TA, Golubev NA, Bykov MA, Mironov AV, Fateev SA, Tarasov AB, Turkevych I, Wei Z, Dikarev EV, Shevelkov AV. Molecular and Supramolecular Structures of Triiodides and Polyiodobismuthates of Phenylenediammonium and Its N,N-dimethyl Derivative. Molecules. 2021; 26(18):5712. https://doi.org/10.3390/molecules26185712

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

Recommended Citation

Dikarev, Evgeny V.; Wei, Zheng; Shestimerova, Tatiana A.; Golubev, Nikita A.; Bykov, Mikhail A.; Mironov, Andrei V.; Fateev, Sergey A.; Tarasov, Alexey B.; Turkevych, Ivan; and Shevelkov, Andrei V., "Molecular and Supramolecular Structures of Triiodides and Polyiodobismuthates of Phenylenediammonium and Its N,N-dimethyl Derivative" (2021). Chemistry Department Faculty Scholarship. 2.
https://scholarsarchive.library.albany.edu/chemistry_fac_scholar/2