Helical mesoscopic crystals based on an achiral charge-transfer complex with controllable untwisting/breaking

2021 ◽  
Vol 57 (78) ◽  
pp. 10031-10034
Author(s):  
Canglei Yang ◽  
Lixing Luo ◽  
Jinqiu Chen ◽  
Bo Yang ◽  
Wei Wang ◽  
...  

The donor and acceptor molecules self-assemble into a helical morphology under the effect of polar solvent. By controlling the temperature to induce phase transition, the co-crystal undergoes predictable crystal breaking or untwisting.

2011 ◽  
Vol 67 (3) ◽  
pp. 244-249 ◽  
Author(s):  
Pilar García-Orduña ◽  
Slimane Dahaoui ◽  
Claude Lecomte

The crystal structure of the 2:1 charge-transfer complex of tetrathiafulvalene [2,2′-bis(1,3-dithiolylidene)] and bromanil (tetrabromo-1,4-benzoquinone) [(TTF)2-BA, (C6H4S4)2–C6Br4O2] has been determined by X-ray diffraction at room temperature, 100 and 25 K. No structural phase transition occurs in the temperature range studied. The crystal is made of TTF–BA–TTF sandwich trimers. A charge-transfer estimation between donor and acceptor (0.2 e) molecules is proposed in comparison to the molecular geometries of TTF–BA and TTF and BA isolated molecules. Displacement parameters of the molecules have been modeled with the TLS formalism.


1998 ◽  
Vol 327-329 ◽  
pp. 391-394
Author(s):  
Keiichi Ikegami ◽  
Shin-ichi Kuroda ◽  
Tomoyuki Akutagawa ◽  
Taro Konuma ◽  
Takayoshi Nakamura ◽  
...  

CrystEngComm ◽  
2021 ◽  
Author(s):  
Rempei Ando ◽  
Mingoo Jin ◽  
Hajime Ito

Charge-transfer (CT) crystals bearing segregated domains between the electron donor and acceptor molecules are a promising platform for developing new organic functional solid-state materials. However, there is limited diversity in...


1974 ◽  
Vol 29 (6) ◽  
pp. 880-887 ◽  
Author(s):  
P. P. Schmidt

This paper reports a theory of the inner sphere-type electron transfer reaction. Inner sphere reactions, as opposed to the outer sphere variety, require that the solvate or ligand shells surrounding the electron donor and acceptor species undergo considerable change in the course of the electron transfer. In this paper we assume that the electron transfer step takes place in a molecular complex which exists in equilibrium with the reactants. The electron transfer step occurs as a non-radiative charge transfer-type transition. In this manner we treat the charge transfer kinetics, in particular, the evaluation of the reaction rate constant, in the same manner as is usual for non-radiative problems. The analysis leading to the rate constant expression is based on Yamamoto’s general chemical reaction rate theory. The rate constant expressions obtained are quite general, they hold for any degree of strength of coupling between subsystems comprising the entire system. The activation energy, in the Arrhenius form for the rate constant, shows a dependence on the energy (work) of formation of the intermediate charge transfer complex, on vibrational shift energies associated with the molecular motions of the ligands, and on solvent repolarization energies. The activation energy also shows an important dependence on coupling terms which link the vibrations of the molecular inner shell with the polarization states of the (assumed) dielectric continuum which surrounds the charge transfer participants. The approach we take in developing this theory we believe points the way towards the development of a more complete theory capable of accounting for the dynamics of the molecular reorganization leading to the intermediate charge transfer complex as well as accounting for the electron transfer step itself.


Author(s):  
Yuki Nakagawa ◽  
Yukihiro Takahashi ◽  
Jun Harada ◽  
Tamotsu Inabe

In the ionic charge-transfer (CT) complex composed of bis(ethylenedithio)tetrathiafulvalene (ET) and 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ), C10H8S8·C8Cl2N2O2, the donor and acceptor molecules both form centrosymmetric dimers associated by strong face-to-face π–π interactions. The disordered DDQ molecules form a one-dimensional π-stacked column, while the ET molecules form a two-leg ladder through additional short S...S contacts between adjacent π–π-bonded dimers. The crystal structure of ET–DDQ revealed in this study will provide a valuable example of the two-leg spin ladder system, which has rarely been reported for ET-based CT complexes.


2020 ◽  
Vol 124 (10) ◽  
pp. 5552-5558 ◽  
Author(s):  
Arkadiusz Frąckowiak ◽  
Roman Świetlik ◽  
Lucky Maulana ◽  
Di Liu ◽  
Martin Dressel ◽  
...  

2005 ◽  
Vol 74 (8) ◽  
pp. 2214-2216 ◽  
Author(s):  
Tomoyuki Mochida ◽  
Kousuke Takazawa ◽  
Masashi Takahashi ◽  
Masuo Takeda ◽  
Yutaka Nishio ◽  
...  

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