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 ◽  
...  
2005 ◽  
Vol 109 (22) ◽  
pp. 4873-4880 ◽  
Author(s):  
M. Broquier ◽  
C. Crépin ◽  
A. Cuisset ◽  
H. Dubost ◽  
J. P. Galaup

2021 ◽  
Vol 03 (02) ◽  
pp. 090-096
Author(s):  
Yusuke Ishigaki ◽  
Kota Asai ◽  
Takuya Shimajiri ◽  
Tomoyuki Akutagawa ◽  
Takanori Fukushima ◽  
...  

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.


2005 ◽  
Vol 97 (12) ◽  
pp. 126106 ◽  
Author(s):  
Raymond R. Dagastine ◽  
Lee R. White ◽  
Paul M. Jones ◽  
Yiao-Tee Hsia

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