Determination of Solvation Descriptors for Ionic Species:  Hydrogen Bond Acidity and Basicity

2004 ◽  
Vol 69 (14) ◽  
pp. 4677-4685 ◽  
Author(s):  
Michael H. Abraham ◽  
Yuan H. Zhao
Keyword(s):  
Hydrogen Bond ◽  
Ionic Species ◽  
Acidity And Basicity ◽  
Hydrogen Bond Acidity

scholarly journals Alternative probe for the determination of the hydrogen-bond acidity of ionic liquids and their aqueous solutions

2017 ◽  
Vol 19 (18) ◽  
pp. 11011-11016 ◽  
Author(s):  
Pedro P. Madeira ◽  
Helena Passos ◽  
Joana Gomes ◽  
João A. P. Coutinho ◽  
Mara G. Freire
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquids ◽  
Aqueous Solutions ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
Hydrogen Bond Acidity ◽  
C Nmr

The alternative probe pyridine-N-oxide allows the determination of the hydrogen-bond acidity of both neat ionic liquids and their aqueous solutions based on 13C NMR chemical shifts.

scholarly journals Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds.

ChemInform ◽  
2004 ◽  
Vol 35 (31) ◽  
Author(s):  
Alexander A. Oliferenko ◽  
Polina V. Oliferenko ◽  
Jonathan G. Huddleston ◽  
Robin D. Rogers ◽  
Vladimir A. Palyulin ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Drug Design ◽  
Aliphatic Compounds ◽  
Acidity And Basicity ◽  
Hydrogen Bond Acidity

NMR Method for the Determination of Solute Hydrogen Bond Acidity

2006 ◽  
Vol 71 (9) ◽  
pp. 3389-3394 ◽  
Author(s):  
Michael H. Abraham ◽  
Raymond J. Abraham ◽  
Jonathan Byrne ◽  
Lee Griffiths
Keyword(s):  
Hydrogen Bond ◽  
Nmr Method ◽  
Hydrogen Bond Acidity

Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds

2004 ◽  
Vol 44 (3) ◽  
pp. 1042-1055 ◽  
Author(s):  
Alexander A. Oliferenko ◽  
Polina V. Oliferenko ◽  
Jonathan G. Huddleston ◽  
Robin D. Rogers ◽  
Vladimir A. Palyulin ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Drug Design ◽  
Aliphatic Compounds ◽  
Acidity And Basicity ◽  
Hydrogen Bond Acidity

Determination of a Solvent Hydrogen-Bond Acidity Scale by Means of the Solvatochromism of Pyridinium-N-phenolate Betaine Dye 30 and PCM-TD-DFT Calculations

2014 ◽  
Vol 118 (17) ◽  
pp. 4605-4614 ◽  
Author(s):  
José P. Cerón-Carrasco ◽  
Denis Jacquemin ◽  
Christian Laurence ◽  
Aurélien Planchat ◽  
Christian Reichardt ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dft Calculations ◽  
Td Dft ◽  
Hydrogen Bond Acidity ◽  
Acidity Scale
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