Weak Intermolecular Interactions and Molecular Recognition:  Structure and Dynamics of the Benzene and Pyridinep-tert-Butylcalix[4]arene Inclusions†

1999 ◽  
Vol 103 (48) ◽  
pp. 10604-10616 ◽  
Author(s):  
Eric B. Brouwer ◽  
Gary D. Enright ◽  
Christopher I. Ratcliffe ◽  
Glenn A. Facey ◽  
John A. Ripmeester
Keyword(s):  
Molecular Recognition ◽  
Intermolecular Interactions ◽  
Structure And Dynamics ◽  
Weak Intermolecular Interactions

On the influence of weak intermolecular interactions on the molecular crystal density of 1,3,5-triazine trinitroalkyl derivatives

2021 ◽  
Vol 57 (3) ◽  
pp. 266-273
Author(s):  
Kyrill Yu. Suponitsky ◽  
Aleksei A. Anisimov ◽  
Ivan V. Ananyev ◽  
Alexander A. Lashakov ◽  
Svetlana V. Osintseva ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Molecular Crystal ◽  
Weak Intermolecular Interactions ◽  
Crystal Density

Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles

2014 ◽  
Vol 14 (7) ◽  
pp. 3499-3509 ◽  
Author(s):  
Marta Pérez-Torralba ◽  
M. Ángeles García ◽  
Concepción López ◽  
M. Carmen Torralba ◽  
M. Rosario Torres ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Structural Investigation ◽  
Halogen Bonds ◽  
Weak Intermolecular Interactions

Invited Paper

2006 ◽  
Vol 2 (4) ◽  
pp. 165-175 ◽  
Author(s):  
Sunwoo Kang ◽  
Shihai Yan ◽  
Jin Yong Lee
Keyword(s):  
Molecular Recognition ◽  
Color Change ◽  
Monomer Unit ◽  
Structural Complexity ◽  
Van Der Waals Interactions ◽  
Anion Sensing ◽  
Research Activities ◽  
Weak Intermolecular Interactions ◽  
Large Systems ◽  
Self Aggregation

Supramolecular chemistry now has become a central part of the research activities. Basically, it mostly concerns molecular recognition and self aggregation by non-covalent weak intermolecular interactions, such as hydrogen bonding, .π-π. stacking, and van der Waals interactions. The computational applications on such large systems are limited for their structural complexity. Several examples of the computational approaches to understand molecular recognition and self-aggregation are discussed. Firstly, bifunctional (fluorescence and visible light absorption) anion sensing mechanism is supported by the DFT calculations. Secondly, an experimentally observed selective recognition of Cu2+ by an azobenzeneappended receptor, which can exhibit Cu2+ selectivity by color change, is discussed based on computational approach. Finally, the intermolecular interaction, which is useful for predicting the self-assembled structures, can be understood by replicating the monomer unit and manipulating the translation and rotation.

scholarly journals Synthesis, Structure and Chiral Inclusion Crystallisation of Tetrakis(4-Ethynylphenyl)Ethylene Derivatives

2002 ◽  
Vol 2002 (5) ◽  
pp. 209-212 ◽  
Author(s):  
Koichi Tanaka ◽  
Takaichi Hiratsuka ◽  
Yuko Kojima ◽  
Yasuko T. Osano
Keyword(s):  
Intermolecular Interactions ◽  
Guest Molecules ◽  
Host Molecules ◽  
Weak Intermolecular Interactions

Achiral host molecules, tetrakis(4-ethynylphenyl)ethylene 3 and tetrakis(4-bromoethynylphenyl)ethylene 4, formed chiral host–guest inclusion crystals with achiral guest molecules via weak intermolecular interactions.

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