Abstract
AbstractHomolytic bond dissociation energy (BDE) for CH and CX (X = F, Cl, or Br) bonds in polyhalogen methanes was successfully correlated with a two‐parameter model describing the repulsion energy of the bonding electron pair with other electrons and its attraction with nuclei, respectively. BDE values for seven molecules were predicted and compared with those calculated by a DFT method. Copyright © 2006 John Wiley & Sons, Ltd.
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