Ab initio studies of hydrogen bond formation in methyl cyanide or methyl isocyanide and methanol systems

1983 ◽  
Vol 24 (3) ◽  
pp. 317-325 ◽  
Author(s):  
Ting-Hua Tang ◽  
Xiao-Yuan Fu
Keyword(s):  
Hydrogen Bond ◽  
Ab Initio ◽  
Bond Formation ◽  
Hydrogen Bond Formation ◽  
Methyl Cyanide ◽  
Methyl Isocyanide

Solid State Effects in 4,6-Dichloropyrimidine Studied by 35Cl-NQR Spectroscopy and ab initio Calculations

2000 ◽  
Vol 55 (1-2) ◽  
pp. 343-347 ◽  
Author(s):  
J. N. Latosińska ◽  
J. Kasprzak
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Quantum Chemistry ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Bond Formation ◽  
Hydrogen Bond Formation ◽  
Resonance Frequencies ◽  
35Cl Nqr ◽  
Nqr Parameters

Quantum chemistry methods -ab initio -have been used for the assignment of the 35Cl-NQR resonance frequencies to particular chlorine atoms substituted in positions 4 and 6 of pyrimidine. The so-called solid state effect, that is the influence of intermolecular interactions, in particular hydrogen bond formation, on the NQR parameters has also been studied.

Vapochromism induced by intermolecular electron transfer coupled with hydrogen-bond formation in zinc dithiolene complex

2020 ◽  
Vol 8 (42) ◽  
pp. 14939-14947
Author(s):  
So Yokomori ◽  
Shun Dekura ◽  
Tomoko Fujino ◽  
Mitsuaki Kawamura ◽  
Taisuke Ozaki ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Electron Transfer ◽  
Bond Formation ◽  
Intermolecular Electron Transfer ◽  
Hydrogen Bond Formation ◽  
Complex Crystal

A novel vapochromic mechanism by intermolecular electron transfer coupled with hydrogen-bond formation was realized in a zinc dithiolene complex crystal.

Diverse mechanisms of carbon-hydrogen bond formation through binuclear reductive elimination reactions

1982 ◽  
Vol 104 (2) ◽  
pp. 619-621 ◽  
Author(s):  
Mario J. Nappa ◽  
Roberto Santi ◽  
Steven P. Diefenbach ◽  
Jack Halpern
Keyword(s):  
Hydrogen Bond ◽  
Bond Formation ◽  
Reductive Elimination ◽  
Hydrogen Bond Formation ◽  
Elimination Reactions
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