A B3LYP and MP2(full) theoretical investigation into the cooperativity effect between dihydrogen-bonding and H–M∙∙∙π (M = Li, Na, K) interactions among HF, MH with the π-electron donor C2H2, C2H4 or C6H6

2013 ◽  
Vol 19 (8) ◽  
pp. 3153-3163 ◽  
Author(s):  
Jian-feng Guo ◽  
Wen-jing Shi ◽  
Fu-de Ren ◽  
Duan-lin Cao ◽  
Yuan-sheng Zhang
Keyword(s):  
Theoretical Investigation ◽  
Electron Donor ◽  
Cooperativity Effect ◽  
Dihydrogen Bonding

On the Theoretical Investigation on Spectroscopy of the Electron Donor−Acceptor Complex TCNE−HMB†

1997 ◽  
Vol 101 (23) ◽  
pp. 4156-4162 ◽  
Author(s):  
M. Hayashi ◽  
T.-S. Yang ◽  
J. Yu ◽  
A. Mebel ◽  
S. H. Lin
Keyword(s):  
Theoretical Investigation ◽  
Electron Donor ◽  
Acceptor Complex ◽  
Donor Acceptor

Theoretical investigation of a possible new class of stable aminyl radicals

1988 ◽  
Vol 53 (9) ◽  
pp. 2128-2139 ◽  
Author(s):  
Georges Leroy ◽  
Michel Sana ◽  
Claude Wilante
Keyword(s):  
Theoretical Investigation ◽  
Electron Donor ◽  
Stabilization Energy ◽  
General Definition ◽  
Original Result ◽  
New Class ◽  
Aminyl Radicals ◽  
Thermodynamic Stabilization ◽  
Definition Of

We show in this paper that nitrogen-centred radicals carrying two electron-donor substituents constitute a possible new class of stable aminyl radicals. An interpretation of this original result is given by using a general definition of the thermodynamic stabilization energy.

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