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Valence Bond Diagrams and Chemical Reactivity
1Department of Organic Chemistry (and) The Lise Meitner-Minerva Center For Computational Quantum Chemistry, The Hebrew University, 91904 Jerusalem (Israel), Fax: (+972) 26585345.
Abstract:
A unified description of chemical reactivity is made possible with valence bond (VB) diagrams, such as those shown for the a simple case (only reactants and products must be considered) and a more complex system (an intermediate state also plays an important role; RC = reaction coordinate). Analysis of reactivity and mechanistic problems in organic and organometallic chemistry exemplifies the generality of the VB paradigm: in situ DNA repair, C-F and C-H bond activation, SRN 2c mechanism, stepwise versus concerted cycloaddition, and a lot more.
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