NMR study of kinetic HH/HD/DD isotope, solvent and solid-state effects on the double proton transfer in azophenine

1989 ◽  
Vol 111 (14) ◽  
pp. 5429-5441 ◽  
Author(s):  
Helmut Rumpel ◽  
Hans Heinrich Limbach
Keyword(s):  
Solid State ◽  
Proton Transfer ◽  
Double Proton Transfer ◽  
Nmr Study ◽  
The Double Proton Transfer

Effects of π-expansion, an additional hydroxyl group, and substitution on the excited state single and double proton transfer of 2-hydroxybenzaldehyde and its relative compounds: TD-DFT static and dynamic study

2019 ◽  
Vol 43 (48) ◽  
pp. 19107-19119 ◽  
Author(s):  
Chanatkran Prommin ◽  
Khanittha Kerdpol ◽  
Tinnakorn Saelee ◽  
Nawee Kungwan
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Photophysical Properties ◽  
Dynamic Study ◽  
Hydroxyl Group ◽  
Single Proton ◽  
Double Proton Transfer ◽  
Td Dft ◽  
The Double Proton Transfer

The effects of π-expansion, an extra hydroxyl group, and substituents on the photophysical properties, the excited state single proton transfer and the double proton transfer of 2-hydroxybenzaldehyde and its relatives have been theoretically investigated using TD-DFT.

scholarly journals An experimental and theoretical NMR study of NH-benzimidazoles in solution and in the solid state: proton transfer and tautomerism

2014 ◽  
Vol 10 ◽  
pp. 1620-1629 ◽  
Author(s):  
Carla I Nieto ◽  
Pilar Cabildo ◽  
M Ángeles García ◽  
Rosa M Claramunt ◽  
Ibon Alkorta ◽  
...  
Keyword(s):  
Experimental Study ◽  
Solid State ◽  
Proton Transfer ◽  
Chemical Shifts ◽  
Nmr Study

This paper reports the 1H, 13C and 15N NMR experimental study of five benzimidazoles in solution and in the solid state (13C and 15N CPMAS NMR) as well as the theoretically calculated (GIAO/DFT) chemical shifts. We have assigned unambiguously the "tautomeric positions" (C3a/C7a, C4/C7 and C5/C6) of NH-benzimidazoles that, in some solvents and in the solid state, appear different (blocked tautomerism). In the case of 1H-benzimidazole itself we have measured the prototropic rate in HMPA-d 18.

Proton transfer in rubazoic acid derivatives in solution and in the solid state. An NMR study

1993 ◽  
pp. 1597 ◽  
Author(s):  
Alejandro C. Olivieri ◽  
Dion�sia Sanz ◽  
Rosa Ma Claramunt ◽  
Jos� Elguero
Keyword(s):  
Solid State ◽  
Proton Transfer ◽  
Nmr Study

Characterizing the Mechanism of the Double Proton Transfer in the Formamide Dimer

2011 ◽  
Vol 115 (12) ◽  
pp. 2650-2657 ◽  
Author(s):  
Jacqueline C. Hargis ◽  
Esteban Vöhringer-Martinez ◽  
H. Lee Woodcock ◽  
Alejandro Toro-Labbé ◽  
Henry F. Schaefer
Keyword(s):  
Proton Transfer ◽  
Double Proton Transfer ◽  
The Double Proton Transfer
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