Gastone Gilli and Paola Gilli
- Published in print:
- 2009
- Published Online:
- September 2009
- ISBN:
- 9780199558964
- eISBN:
- 9780191720949
- Item type:
- chapter
- Publisher:
- Oxford University Press
- DOI:
- 10.1093/acprof:oso/9780199558964.003.0006
- Subject:
- Physics, Crystallography: Physics
The analysis performed in Chapters 3 and 4 leads to formulate a number of rules which can be considered the empirical laws governing the H-bond. The first is that H-bonds are not an undifferentiated ...
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The analysis performed in Chapters 3 and 4 leads to formulate a number of rules which can be considered the empirical laws governing the H-bond. The first is that H-bonds are not an undifferentiated group but, conversely, need to be divided in classes according to their strength, mechanism of action, and modes of proton-exchange, acid-base association, and PA/pKa matching, the most important subdivision remaining that in six chemical leitmotifs (CLs), four of which collect all strong H-bonds known in nature. It is eventually concluded that the H-bond behaves as an interaction having a twofold nature (electrostatic and covalent) and a dual logic (two bonds formed by a same proton with two lone-pair donors) which, for these very reasons, is fully interpreted and rationalized in terms of VB theory (the electrostatic-covalent H-bond model) or general acid-base theory (the PA/pKa equalization principle).Less
The analysis performed in Chapters 3 and 4 leads to formulate a number of rules which can be considered the empirical laws governing the H-bond. The first is that H-bonds are not an undifferentiated group but, conversely, need to be divided in classes according to their strength, mechanism of action, and modes of proton-exchange, acid-base association, and PA/pKa matching, the most important subdivision remaining that in six chemical leitmotifs (CLs), four of which collect all strong H-bonds known in nature. It is eventually concluded that the H-bond behaves as an interaction having a twofold nature (electrostatic and covalent) and a dual logic (two bonds formed by a same proton with two lone-pair donors) which, for these very reasons, is fully interpreted and rationalized in terms of VB theory (the electrostatic-covalent H-bond model) or general acid-base theory (the PA/pKa equalization principle).
