Effects of a solid proton transfer on the 13C, 14N residual dipolar coupling in CPMAS NMR. Implications for the shape of the potential energy function

1990 ◽  
pp. 85 ◽  
Author(s):  
Alejandro C. Olivieri
Keyword(s):  
Potential Energy ◽  
Proton Transfer ◽  
Energy Function ◽  
Dipolar Coupling ◽  
Residual Dipolar Coupling ◽  
Potential Energy Function

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.

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