scholarly journals Cooperation of Hydrogen-Bond and Charge-Transfer Interactions in Molecular Complexes in the Solid State

2013 ◽  
Vol 86 (2) ◽  
pp. 183-197 ◽  
Author(s):  
Yasushi Morita ◽  
Tsuyoshi Murata ◽  
Kazuhiro Nakasuji
Keyword(s):  
Hydrogen Bond ◽  
Charge Transfer ◽  
Solid State ◽  
Molecular Complexes

scholarly journals Zn(II) Heteroleptic Halide Complexes with 2-Halopyridines: Features of Halogen Bonding in Solid State

Molecules ◽  
2021 ◽  
Vol 26 (11) ◽  
pp. 3393
Author(s):  
Mikhail A. Vershinin ◽  
Marianna I. Rakhmanova ◽  
Alexander S. Novikov ◽  
Maxim N. Sokolov ◽  
Sergey A. Adonin
Keyword(s):  
Solid State ◽  
Quantum Yield ◽  
Crystal Packing ◽  
Halogen Bonding ◽  
Molecular Complexes ◽  
Substituted Pyridines ◽  
Halide Complexes

Reactions between Zn(II) dihalides and 2-halogen-substituted pyridines 2-XPy result in a series of heteroleptic molecular complexes [(2-XPy)2ZnY2] (Y = Cl, X = Cl (1), Br (2), I (3); Y = Br, X = Cl (4), Br (5), I (6), Y = I, X = Cl (7), Br (8), and I (9)). Moreover, 1–7 are isostructural (triclinic), while 8 and 9 are monoclinic. In all cases, halogen bonding plays an important role in formation of crystal packing. Moreover, 1–9 demonstrate luminescence in asolid state; for the best emitting complexes, quantum yield (QY) exceeds 21%.

scholarly journals Color-tunable arylaminoanthraquinone dyes through hydrogen-bond-assisted charge transfer interaction

RSC Advances ◽  
2021 ◽  
Vol 11 (39) ◽  
pp. 24217-24231
Author(s):  
Takashi Takeda ◽  
Yotaro Kasahara ◽  
Tomoyuki Akutagawa
Keyword(s):  
Hydrogen Bond ◽  
Charge Transfer ◽  
Charge Transfer Interaction ◽  
Color Tunable

A color-tunable anthraquinone library based on arylaminoanthraquinone was prepared through hydrogen-bond-assisted charge transfer interaction.

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.

Solid-state redox couple mediated water splitting

2021 ◽  
Author(s):  
Duanduan Liu ◽  
Wei Wei ◽  
Maidina Mahemu ◽  
Hao Qin ◽  
Kai Zhu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Solid State ◽  
Water Splitting ◽  
Redox Couple ◽  
Electrochemical Water Splitting

The solid-state redox couple is a vital charge transfer medium for electrochemical water splitting.

Refinement of hydrogen atomic position in a hydrogen bond using a combination of solid-state NMR and computation

2003 ◽  
pp. 2834 ◽  
Author(s):  
Robin K. Harris ◽  
Phuong Y. Ghi ◽  
Robert B. Hammond ◽  
Cai-Yun Ma ◽  
Kevin J. Roberts
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Solid State Nmr ◽  
Atomic Position

Solid State Structural Properties of Multibridged [3n]Cyclophanes and Their Charge Transfer Complexes

ChemInform ◽  
2004 ◽  
Vol 35 (13) ◽  
Author(s):  
Mikio Yasutake ◽  
Toru Koga ◽  
Chultack Lim ◽  
Ming Zhou ◽  
Wakana Matsuda-Sentou ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Solid State ◽  
Structural Properties ◽  
Charge Transfer Complexes
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