Proton transfer in acetylacetone and its α-halo derivatives

2016 ◽  
Vol 18 (1) ◽  
pp. 344-350 ◽  
Author(s):  
Fatemeh Dolati ◽  
Sayyed Faramarz Tayyari ◽  
Mohammad Vakili ◽  
Yan Alexander Wang
Keyword(s):  
Potential Energy ◽  
Proton Transfer ◽  
Bond Strength ◽  
Electronic Properties ◽  
Energy Function ◽  
Potential Energy Function ◽  
Geometrical Parameters ◽  
Two Dimensional ◽  
Barrier Heights

A two-dimensional potential energy function has been applied to study the bent intramolecular H-bonds within acetylacetone and its α-halo derivatives. The theoretically predicted proton transfer barrier heights correlate very well with geometrical parameters and electronic properties related to the H-bond strength.

The two‐dimensional hydrogen atom with a logarithmic potential energy function

1990 ◽  
Vol 58 (12) ◽  
pp. 1183-1192 ◽  
Author(s):  
K. Eveker ◽  
D. Grow ◽  
B. Jost ◽  
C. E. Monfort ◽  
K. W. Nelson ◽  
...  
Keyword(s):  
Hydrogen Atom ◽  
Potential Energy ◽  
Energy Function ◽  
Potential Energy Function ◽  
Logarithmic Potential ◽  
Two Dimensional

Two-dimensional potential energy function for internal rotation in 1,2-dihydroxybenzenes

2006 ◽  
Vol 73 (1) ◽  
pp. 146-150 ◽  
Author(s):  
M. B. Shundalov ◽  
G. A. Pitsevich ◽  
M. A. Ksenofontov ◽  
D. S. Umreiko
Keyword(s):  
Potential Energy ◽  
Internal Rotation ◽  
Energy Function ◽  
Potential Energy Function ◽  
Two Dimensional
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