Variation of Donor and Acceptor Strength in Analogues of Brooker’s Merocyanine and Generalization to Various Classes of Charge Transfer Compounds

2019 ◽  
Vol 123 (13) ◽  
pp. 2694-2708 ◽  
Author(s):  
M. Dekhtyar ◽  
W. Rettig ◽  
A. Rothe ◽  
V. Kurdyukov ◽  
A. Tolmachev
Keyword(s):  
Charge Transfer ◽  
Donor And Acceptor ◽  
Brooker’S Merocyanine

scholarly journals Horizontal versus vertical charge and energy transfer in hybrid assemblies of semiconductor nanoparticles

2012 ◽  
Vol 3 ◽  
pp. 629-636 ◽  
Author(s):  
Gilad Gotesman ◽  
Rahamim Guliamov ◽  
Ron Naaman
Keyword(s):  
Energy Transfer ◽  
Charge Transfer ◽  
Horizontal Plane ◽  
Quartz Substrate ◽  
Vertical Direction ◽  
Time Resolved ◽  
Transfer Processes ◽  
Donor And Acceptor ◽  
Hybrid Assemblies ◽  
Time Resolved Photoluminescence

We studied the photoluminescence and time-resolved photoluminescence from self-assembled bilayers of donor and acceptor nanoparticles (NPs) adsorbed on a quartz substrate through organic linkers. Charge and energy transfer processes within the assemblies were investigated as a function of the length of the dithiolated linker (DT) between the donors and acceptors. We found an unusual linker-length-dependency in the emission of the donors. This dependency may be explained by charge and energy transfer processes in the vertical direction (from the donors to the acceptors) that depend strongly on charge transfer processes occurring in the horizontal plane (within the monolayer of the acceptor), namely, parallel to the substrate.

scholarly journals Nanopore-induced host–guest charge transfer phenomena in a metal–organic framework

2018 ◽  
Vol 9 (13) ◽  
pp. 3282-3289 ◽  
Author(s):  
S. Yamamoto ◽  
J. Pirillo ◽  
Y. Hijikata ◽  
Z. Zhang ◽  
K. Awaga
Keyword(s):  
Charge Transfer ◽  
Self Assembly ◽  
Metal Organic Framework ◽  
Donor And Acceptor ◽  
Organic Electron ◽  
Donor Acceptor ◽  
Metal Organic ◽  
Bulk Scale ◽  
A Charge ◽  
Organic Framework

Using the “crystal sponge” approach, weak organic electron donor molecules were impregnated and evenly distributed in a crystal of a metal–organic framework (MOF), with the self-assembly of the donor–acceptor pairs with electron acceptor ligands. The nanopores of the MOF confined them and induced a charge transfer phenomenon, which would not occur between donor and acceptor molecules in a bulk scale.

Charge-Transfer Crystal with Segregated Packing Structure Constructed with Hexaarylbenzene and Tetracyanoquinodimethane

CrystEngComm ◽  
2021 ◽  
Author(s):  
Rempei Ando ◽  
Mingoo Jin ◽  
Hajime Ito
Keyword(s):  
Charge Transfer ◽  
Solid State ◽  
Electron Donor ◽  
Packing Structure ◽  
Donor And Acceptor ◽  
Solid State Materials ◽  
Electron Donor And Acceptor ◽  
Acceptor Molecules

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...

Zur Theorie der Elektronenübergangsreaktionen in molekularen Komplexen / Theory of Electron Transfer Reactions in Molecular Complexes

1974 ◽  
Vol 29 (6) ◽  
pp. 880-887 ◽  
Author(s):  
P. P. Schmidt
Keyword(s):  
Activation Energy ◽  
Electron Transfer ◽  
Charge Transfer ◽  
Rate Constant ◽  
Reaction Rate ◽  
Charge Transfer Complex ◽  
Rate Theory ◽  
Transfer Step ◽  
Donor And Acceptor ◽  
Inner Sphere

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.

Characterization of Charge Transfer in Excited States of Extended Clusters of π-Stacked Donor and Acceptor Complexes in Lock-Arm Supramolecular Ordering

2019 ◽  
Vol 123 (21) ◽  
pp. 4532-4542 ◽  
Author(s):  
Rui-xue Chen ◽  
Adélia J. A. Aquino ◽  
Andrew C.-H. Sue ◽  
Thomas Niehaus ◽  
Hans Lischka
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Donor And Acceptor ◽  
Supramolecular Ordering

scholarly journals A Biomimetic Supramolecular Approach for Charge Transfer between Donor and Acceptor Chromophores with Aggregation-Induced Emission

2018 ◽  
Vol 24 (55) ◽  
pp. 14668-14678 ◽  
Author(s):  
Jing-Yu Chen ◽  
Gajanan Kadam ◽  
Akhil Gupta ◽  
Anuradha ◽  
Sheshanath V. Bhosale ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Aggregation Induced Emission ◽  
Donor And Acceptor

Binding Energies of Organic Charge-Transfer Complexes Calculated by First-Principles Methods

1998 ◽  
Vol 63 (8) ◽  
pp. 1223-1244 ◽  
Author(s):  
Cordula Rauwolf ◽  
Achim Mehlhorn ◽  
Jürgen Fabian
Keyword(s):  
Density Functional Theory ◽  
Charge Transfer ◽  
Ground State ◽  
Density Functional ◽  
Binding Energies ◽  
Basis Set ◽  
Dispersion Energy ◽  
Functional Theory ◽  
Basis Set Superposition Error ◽  
Donor And Acceptor

Weak interactions between organic donor and acceptor molecules resulting in cofacially-stacked aggregates ("CT complexes") were studied by second-order many-body perturbation theory (MP2) and by gradient-corrected hybrid Hartree-Fock/density functional theory (B3LYP exchange-correlation functional). The complexes consist of tetrathiafulvalene (TTF) and related compounds and tetracyanoethylene (TCNE). Density functional theory (DFT) and MP2 molecular equilibrium geometries of the component structures are calculated by means of 6-31G*, 6-31G*(0.25), 6-31++G**, 6-31++G(3df,2p) and 6-311G** basis sets. Reliable molecular geometries are obtained for the donor and acceptor compounds considered. The geometries of the compounds were kept frozen in optimizing aggregate structures with respect to the intermolecular distance. The basis set superposition error (BSSE) was considered (counterpoise correction). According to the DFT and MP2 calculations laterally-displaced stacks are more stable than vertical stacks. The charge transfer from the donor to the acceptor is small in the ground state of the isolated complexes. The cp-corrected binding energies of TTF/TCNE amount to -1.7 and -6.3 kcal/mol at the DFT(B3LYP) and MP2(frozen) level of theory, respectively (6-31G* basis set). Larger binding energies were obtained by Hobza's 6-31G*(0.25) basis set. The larger MP2 binding energies suggest that the dispersion energy is underestimated or not considered by the B3LYP functional. The energy increases when S in TTF/TCNE is replaced by O or NH but decreases with substitution by Se. The charge-transferred complexes in the triplet state are favored in the vertical arrangement. Self-consistent-reaction-field (SCRF) calculations predicted a gain in binding energy with solvation for the ground-state complex. The ground-state charge transfer between the components is increased up to 0.8 e in polar solvents.

scholarly journals Recent advances in twisted intramolecular charge transfer (TICT) fluorescence and related phenomena in materials chemistry

2016 ◽  
Vol 4 (14) ◽  
pp. 2731-2743 ◽  
Author(s):  
Shunsuke Sasaki ◽  
Gregor P. C. Drummen ◽  
Gen-ichi Konishi
Keyword(s):  
Electron Transfer ◽  
Charge Transfer ◽  
Transfer Process ◽  
Intramolecular Charge Transfer ◽  
Materials Chemistry ◽  
Single Bond ◽  
Electron Transfer Process ◽  
Twisted Intramolecular Charge Transfer ◽  
Recent Advances ◽  
Donor And Acceptor

Twisted intramolecular charge transfer (TICT) is an electron transfer process that occurs upon photoexcitation in molecules that usually consist of a donor and acceptor part linked by a single bond.

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