Abstract:Charge transfer cocrystals offer an opportunity to alter the photophysical characteristics of organic chromophores. Modulation of charge transfer interactions of cocrystals to attain tunable optical properties is of great pertinence...
“…This is expected to be beneficial for a variety of optical properties, including photoinduced charge-transfer. 24,25 Furthermore, the process of photoexcitation may cause movement and changes in the crystalline structure of materials, leading to charge-transfer and alterations to their optical properties. The photoinduced structural dynamics causing color change have been rarely reported.…”
A charge-transfer crystalline solid of 3,3'-diindolyl(3-pyridyl)methane with solvated methanol (PMDI·MeOH) was synthesized and structurally characterized. Upon UV irradiation, the colorless PMDI·MeOH crystal became more intense orange, which could be attributed...
“…This is expected to be beneficial for a variety of optical properties, including photoinduced charge-transfer. 24,25 Furthermore, the process of photoexcitation may cause movement and changes in the crystalline structure of materials, leading to charge-transfer and alterations to their optical properties. The photoinduced structural dynamics causing color change have been rarely reported.…”
A charge-transfer crystalline solid of 3,3'-diindolyl(3-pyridyl)methane with solvated methanol (PMDI·MeOH) was synthesized and structurally characterized. Upon UV irradiation, the colorless PMDI·MeOH crystal became more intense orange, which could be attributed...
“…Fluorene (FR) possesses two benzene rings, showcasing significant conjugated effects and excellent electron-donating properties, demonstrating great potential for constructing cocrystals with photoelectric properties. 31,32 Carbazole (CZ) introduces a N atom to the fluorene-based structure. 1,2,4,5-Tetracyanobenzene (TCNB), featuring a benzene ring and four electron-withdrawing cyano groups, exhibits notable electron-withdrawing capability and conjugation effects.…”
A series of charge transfer cocrystals with fluorescent properties involving 1,2,4,5-tetracyanobenzene (TCNB, C10H2N4) as the acceptor, fluorene (FR, C13H10) and its bromide 2-bromofluorene (2-BrFR, C13H9Br), carbazole (CZ, C12H9N) and its...
“…Strong donors, such as polycyclic aromatic hydrocarbons (PAH), readily form cocrystals with strong acceptors from the TCNQ family. A good illustration of strong CT cocrystals are complexes of tetracene with TCNQ, F 2 TCNQ and F 4 TCNQ [11][12][13][14][15][16]. Two combinations, tetracene/TCNQ and tetracene/F 4 TCNQ, involve components of comparable size that form cocrystals with mixed donor-acceptor stacks via strong CT interactions.…”
A series of xylene charge-transfer complexes with fluorine-substituted tetracyanoquinodimethane (TCNQ) acceptors were studied experimentally and theoretically in order to reveal the role of various intermolecular interactions on stoichiometry and the crystal structure. It was shown that o-xylene face-to-face donor–donor interactions became significant enough to result in the formation of 2:1 cocrystals with F1TCNQ and F4TCNQ irrespective of growth conditions. The supramolecular arrangement in these cocrystals is mainly determined by the number of fluorine atoms in the acceptor. Comparative DFT and MP2 calculations of the pairwise intermolecular interactions revealed the overestimation of the dispersion energy for these systems in light of the wB97XD functional.
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