Hydrogen-Bond Interaction in Organic Conductors:  Redox Activation, Molecular Recognition, Structural Regulation, and Proton Transfer in Donor−Acceptor Charge-Transfer Complexes of TTF-Imidazole

2007 ◽  
Vol 129 (35) ◽  
pp. 10837-10846 ◽  
Author(s):  
Tsuyoshi Murata ◽  
Yasushi Morita ◽  
Yumi Yakiyama ◽  
Kozo Fukui ◽  
Hideki Yamochi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Charge Transfer ◽  
Molecular Recognition ◽  
Proton Transfer ◽  
Organic Conductors ◽  
Charge Transfer Complexes ◽  
Hydrogen Bond Interaction ◽  
Redox Activation ◽  
Donor Acceptor ◽  
Structural Regulation

scholarly journals Study on the interaction between catechin and cholesterol by the density functional theory

2020 ◽  
Vol 18 (1) ◽  
pp. 357-368
Author(s):  
Kaiwen Zheng ◽  
Kai Guo ◽  
Jing Xu ◽  
Wei Liu ◽  
Junlang Chen ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bond ◽  
Charge Transfer ◽  
Density Functional ◽  
Antioxidant Properties ◽  
Micelle Formation ◽  
Aromatic Rings ◽  
Hydrogen Bond Interaction ◽  
Functional Theory ◽  
The Density Functional Theory

AbstractCatechin – a natural polyphenol substance – has excellent antioxidant properties for the treatment of diseases, especially for cholesterol lowering. Catechin can reduce cholesterol content in micelles by forming insoluble precipitation with cholesterol, thereby reducing the absorption of cholesterol in the intestine. In this study, to better understand the molecular mechanism of catechin and cholesterol, we studied the interaction between typical catechins and cholesterol by the density functional theory. Results show that the adsorption energies between the four catechins and cholesterol are obviously stronger than that of cholesterol themselves, indicating that catechin has an advantage in reducing cholesterol micelle formation. Moreover, it is found that the molecular interactions of the complexes are mainly due to charge transfer of the aromatic rings of the catechins as well as the hydrogen bond interactions. Unlike the intuitive understanding of a complex formed by hydrogen bond interaction, which is positively correlated with the number of hydrogen bonds, the most stable complexes (epicatechin–cholesterol or epigallocatechin–cholesterol) have only one but stronger hydrogen bond, due to charge transfer of the aromatic rings of catechins.

Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives

CrystEngComm ◽  
2015 ◽  
Vol 17 (32) ◽  
pp. 6227-6235 ◽  
Author(s):  
Amparo Salmerón-Valverde ◽  
Sylvain Bernès
Keyword(s):  
Charge Transfer ◽  
Crystal Growth ◽  
Charge Transfer Complexes ◽  
Organic Complexes ◽  
Donor Acceptor ◽  
Degree Of Charge Transfer

A series of solvated donor–acceptor organic complexes were shown to slowly release the lattice solvent while the degree of charge transfer decreases steadily. This behavior is not observed in the case of a hydrate.

scholarly journals PAH/PAH(CF 3 ) n Donor/Acceptor Charge‐Transfer Complexes in Solution and in Solid‐State Co‐Crystals

2019 ◽  
Vol 25 (59) ◽  
pp. 13547-13565 ◽  
Author(s):  
Karlee P. Castro ◽  
Eric V. Bukovsky ◽  
Igor V. Kuvychko ◽  
Nicholas J. DeWeerd ◽  
Yu‐Sheng Chen ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Solid State ◽  
Charge Transfer Complexes ◽  
Donor Acceptor

Charge Transfer Complexes of Aromatic Nitrocompounds with Disubstituted Naphthalenes. I.Spectroscopic Investigation of the Donor Behaviour of the 2,6- and 23-Dimethylnaphthalene

1984 ◽  
Vol 39 (12) ◽  
pp. 1274-1278 ◽  
Author(s):  
M. H. Abdel-Kader ◽  
R. M. Issa ◽  
M. M. Ayad ◽  
M. S. Abdel-Mottaleb
Keyword(s):  
Charge Transfer ◽  
Spectral Characteristics ◽  
Charge Transfer Complexes ◽  
Element Analysis ◽  
H Nmr ◽  
Aromatic Nitrocompounds ◽  
Donor Acceptor ◽  
The Difference ◽  
Donor Behaviour ◽  
Ct Complexes

The charge transfer complexes of 2,3- (I) and 2,6-Dimethylnaphthalenes (II) as electron donors with tri- and di-nitrobenzenes as electron acceptors are prepared and investigated by element analysis, IR. 1H nmr and electronic absorption spectroscopy. The results showed that I yields CT complexes of 1:1 type only while II is capable of forming 1 : 1 and 1 : 2 (donor: acceptor) compounds. The spectral characteristics of the CT complexes are pointed out and discussed. The difference in the donor behaviour between I and II is explained in the light of PPP-MO calculations.

scholarly journals Fermi level pinned molecular donor/acceptor junctions: reduction of induced carrier density by interfacial charge transfer complexes

2020 ◽  
Vol 8 (43) ◽  
pp. 15199-15207
Author(s):  
Paul Beyer ◽  
Eduard Meister ◽  
Timo Florian ◽  
Alexander Generalov ◽  
Wolfgang Brütting ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Fermi Level ◽  
Carrier Density ◽  
Charge Transfer Complex ◽  
Charge Transfer Complexes ◽  
Interfacial Charge Transfer ◽  
Fermi Level Pinning ◽  
Donor Acceptor ◽  
Interfacial Charge

Charge transfer complex (CPX) formation at a donor–acceptor interface reduces the amount of Fermi-level pinning induced interfacial charge transfer.

Bromine−AOT Charge-Transfer Complexes and Hydrogen-Bond Donor Ability of Water in AOT−isooctane−H2O Reverse Micelles and Water-in-Oil Microemulsions

1999 ◽  
Vol 103 (24) ◽  
pp. 4997-5004 ◽  
Author(s):  
Luis Garcia-Rio ◽  
Juan C. Mejuto ◽  
Renata Ciri ◽  
Iva B. Blagoeva ◽  
J. Ramon Leis ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Charge Transfer ◽  
Reverse Micelles ◽  
Charge Transfer Complexes ◽  
Hydrogen Bond Donor ◽  
Donor Ability
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