The weak hydrogen bond in the fluorobenzene-ammonia van der Waals complex: Insights into the effects of electron withdrawing substituents on π versus in-plane bonding

2007 ◽  
Vol 126 (15) ◽  
pp. 154319 ◽  
Author(s):  
Nicola M. Tonge ◽  
Ewan C. MacMahon ◽  
Igor Pugliesi ◽  
Martin C. R. Cockett
Keyword(s):  
Hydrogen Bond ◽  
Van Der Waals ◽  
Weak Hydrogen Bond ◽  
Van Der Waals Complex ◽  
Electron Withdrawing Substituents

Vibrational coherence of DCl in cryogenic matrices: from van der Waals interaction to weak hydrogen bond

2002 ◽  
Author(s):  
Claudine Crepin-Gilbert ◽  
M. Broquier ◽  
A. Cuisset ◽  
Henri DuBost ◽  
Jean-Pierre Galaup ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Van Der Waals ◽  
Van Der Waals Interaction ◽  
Weak Hydrogen Bond ◽  
Vibrational Coherence

Infrared diode laser jet spectroscopy of the van der Waals complex (N2O)2

1997 ◽  
Vol 91 (4) ◽  
pp. 689-696 ◽  
Author(s):  
HAI-BO QIAN ◽  
WOUTER HERREBOUT ◽  
BRIAN HOWARD
Keyword(s):  
Diode Laser ◽  
Van Der Waals ◽  
Van Der Waals Complex

scholarly journals Chalcogen Bond versus Weak Hydrogen Bond: Changing Contributions in Determining the Crystal Packing of [1,2,5]-Chalcogenadiazole-Fused Tetracyanonaphthoquinodimethanes

2021 ◽  
Vol 03 (02) ◽  
pp. 090-096
Author(s):  
Yusuke Ishigaki ◽  
Kota Asai ◽  
Takuya Shimajiri ◽  
Tomoyuki Akutagawa ◽  
Takanori Fukushima ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Density Functional ◽  
Molecular Design ◽  
Crystal Packing ◽  
Cyano Group ◽  
Density Functional Theory Calculations ◽  
Weak Hydrogen Bond ◽  
Functional Theory ◽  
Chalcogen Bond ◽  
Thiadiazole Ring

The crystal structures of a series of tetracyanonaphthoquinodimethanes fused with a selenadiazole or thiadiazole ring revealed that their molecular packing is determined mainly by two intermolecular interactions: chalcogen bond (ChB) and weak hydrogen bond (WHB). ChB between Se and a cyano group dictates the packing of selenadiazole derivatives, whereas the S-based ChB is much weaker and competes with WHB in thiadiazole analogues. This difference can be explained by different electrostatic potentials as revealed by density functional theory calculations. A proper molecular design that weakens WHB can change the contribution of ChB in determining the crystal packing of thiadiazole derivatives.

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