Intracation and Interanion–Cation Charge-Transfer Properties of Tetrathiafulvalene-Bismuth-Halide Hybrids
| Autor: | Ping Zhang, Qin-Yu Zhu, Jie Dai, Xuan Zhang, Zheng-Zhen Tang, Yi-Gang Weng |
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| Rok vydání: | 2018 |
| Předmět: |
010405 organic chemistry
Halide Protonation 010402 general chemistry 01 natural sciences 0104 chemical sciences Inorganic Chemistry Crystallography chemistry.chemical_compound Electron transfer chemistry Intramolecular force Moiety Pyridinium Physical and Theoretical Chemistry Tetrathiafulvalene Perovskite (structure) |
| Zdroj: | Inorganic Chemistry. 57:11113-11122 |
| ISSN: | 1520-510X 0020-1669 |
| DOI: | 10.1021/acs.inorgchem.8b01692 |
| Popis: | Tetrathiafulvalene (TTF) derivatives as promising hole transport materials in assembling hybrid halide perovskite solar cells have attracted great attention; however, electron transfer or charge-transfer (CT) between TTF and metal halides has been studied with less detail at the molecular level. Using molecular models, we herein report four new TTF-bismuth-halides assembled by methylated or protonated bis(4′-pyridyl)-tetrathiafulvalene cations, (MePy)2TTF or (HPy)2TTF, and bismuth-halide anions. Single crystal analysis showed that the cations are stacked to form a TTF column, and the bismuth-halide anions are inlaid between the TTF columns with anion–cation interactions. In these compounds, the main contribution to CT is the intracation CT, namely intramolecular CT (IMCT) from TTF moiety to pyridinium group. However, the anion to cation CT (ACCT) has a significant effect on the IMCT and physical properties. The different anion–cation interaction modes result in different synergistic effects of IMCT and AC... |
| Databáze: | OpenAIRE |
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