The topology of π···H hydrogen bonds

Unsaturated hydrocarbons are routinely used as proton acceptors because their π clouds possess a capacity to interact with Lewis acids and cationic species. Thus, in order to understand the formation of π hydrogen-bonded complexes, which in many cases are considered as weakly bound systems, the topo...

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Published in:Monatshefte für Chemie 2011-09, Vol.142 (9), p.861-873
Main Authors: Oliveira, Boaz G., Araújo, Regiane C. M. U.
Format: Article
Language:English
Subjects:
Analytical Chemistry
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
Inorganic Chemistry
Organic Chemistry
Physical Chemistry
Review
Theoretical and Computational Chemistry
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description Unsaturated hydrocarbons are routinely used as proton acceptors because their π clouds possess a capacity to interact with Lewis acids and cationic species. Thus, in order to understand the formation of π hydrogen-bonded complexes, which in many cases are considered as weakly bound systems, the topological quantification of the charge density ruled by quantum mechanic theorems is very useful. Although elaborated by Richard Bader 40 years ago, the Quantum Theory of Atoms in Molecules (QTAIM) has only recently become widely known, and it has been applied in several scientific fields, allowing great insights in chemical bonding studies of intermolecular systems, in particular those formed by π···H hydrogen bonds. Graphical Abstract
doi_str_mv 10.1007/s00706-011-0540-4
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subjects Analytical Chemistry
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
Inorganic Chemistry
Organic Chemistry
Physical Chemistry
Review
Theoretical and Computational Chemistry
title The topology of π···H hydrogen bonds
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