Valence bond all the way: from the degenerate H-exchange to cytochrome P450.
This is a personalized Perspective on the development of a valence bond (VB) view of chemical reactivity (J. Am. Chem. Soc., 1981, 103, 3692) as a LEGO process whereby one constructs "reactivity objects", such as barriers, transition states, and reaction intermediates from VB building blocks, and thereby understands and predicts chemical reactivity in a unified manner. In so doing, I have tried to give the reader a panoramic set of applications, from the simple H-exchange reaction all the way to alkane hydroxylation by cytochrome P450 (Prog. Phys. Org. Chem. 1985, 15, 197; Angew. Chem., Int. Ed., 1999, 38, 586).
Shaik
Sason
S
The Institute of Chemistry and the Lise Meitner Minerva Center for Computational Quantum Chemistry, The Hebrew University, 91904, Jerusalem, Israel. sason@yfaat.ch.huji.ac.il
D056831:Coordination Complexes / Q000737:chemistry; D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry*; D006859:Hydrogen / Q000737:chemistry*; D008956:Models, Chemical; D011789:Quantum Theory
D056831:Coordination Complexes; D006859:Hydrogen; D003577:Cytochrome P-450 Enzyme System