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The mechanism of the chemical reaction, with recent developments pertaining to heterogeneous catalysis
Author(s) -
Salem L.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560160833
Subject(s) - mechanism (biology) , biochemical engineering , chemistry , reaction mechanism , catalysis , computational chemistry , nanotechnology , materials science , organic chemistry , engineering , epistemology , philosophy
The mechanism of chemical reactions is examined from the viewpoint of electron pair behavior. Pair preservation is an important feature. In photochemical reactions, the sudden polarization effect is described. In the study of the mechanism of heterogeneous catalysis, the chemical nature of the electron waves in metals is first studied. Next, localized surface amplitude patterns (formed by relocalization of the metal Orbitals under perturbation) are introduced. With a given symmetry, and given energy, they provide orbital amplitude for interaction with an approaching substrate. It is shown that the subsurface may drastically modify the normal energy‐versus‐phase relationship of the surface orbitals, with possible exaltation of frontier properties.