Abstract
Abstract The equilibrium geometric parameters determined for XC=Y radicals (HC=O, CH3C=O, NH2C=O, and HC=CH2) are not characterized by their bond lengths but by their X–C–Y angles, which are wide compared with the angles in their parent molecules (XHC=Y). The %s character of the a orbitals on the C atom in XHC=Y was found to be conserved in the %s character and the s-orbital spin density of the same atom in XC=Y radicals: there are linear relationships between them. Some notable features of the unpaired-electron distribution on the frameworks of XC=Y radicals are also discussed in connection with the electronic properties of the σ radicals.
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