Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
4769531 | The Journal of Chemical Thermodynamics | 2017 | 41 Pages |
Abstract
The central objective of this work is to revisit the development of the widely used Lewis acidity/basicity scales and seek possibilities for their eventual unification. The primary focus is on hydrogen bonding interactions which are dealt with the estimation of hydrogen-bond-donor (HBD) and hydrogen-bond-acceptor (HBA) capacity of the compounds. The developments are made by having in mind their implementation in a thermodynamic equation-of-state framework for the reliable estimation of all basic thermodynamic quantities of compounds over a broad range of external conditions. Gutmann's donor and acceptor numbers, the Hard-Soft Acid and Base principle, Drago's electrostatic and covalent interaction parameters E and C, the LFER/LSER acidity and basicity, α and β (A and B), parameters, the Hansen partial hydrogen - bonding solubility parameters and Klamt's quantum-chemically derived hydrogen - bonding cosmoments are all combined with the recent partial solvation parameter (PSP) approach in an effort to develop a unified hydrogen bonding scale. The challenges and the perspectives of this unification are critically discussed.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
C. Panayiotou, S. Mastrogeorgopoulos, V. Hatzimanikatis,