ELECTRON PAIRING AND CHEMICAL-BONDS - CHEMICAL-BONDS FROM THE CONDITION OF MINIMUM FLUCTUATION OF ELECTRON-PAIR

The role of electron pairing in chemical bonding stressed by the Lewis electron-pair model of the chemical bond is analyzed and discussed fr om the point of view of the proposal that chemical bonds are the regio ns of space populated roughly.by two electrons and which at the same t ime exhibit low fluctuation of an electron pair. Based on this assumpt ion, we have been able to introduce a new localization procedure, the output of which are just the orbitals (chemical bonds) satisfying the criterion of minimum pair fluctuation. It has been shown that these or bitals remarkably well display the most important attributes of chemic al bonds, namely, the localization in the regions where classical bond s are expected and there is very high transferability from one molecul e to another. The applicability of this procedure as a new means of th e analysis and the visualization of the molecular structure is also di scussed. (C) 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 193-200 , 1998.