Theoretical investigation of geometrical properties of 1,1 bis(dichloromethyl)cyclopropane diradical

The short-lived species play crucial roles in molecular transformations and also in materialsscience. Quantum chemical calculations allowed scientists not only to understand the threedimensionalstructures and electronic properties of these species, but also to design newmolecules with novel properties [1,2]. Molecules containing an unpaired electron are calledmonoradicals, free radicals, or simply radicals. When there are two unpaired electrons(radicals) in a molecule, the term diradical or biradical refers to the molecule [3].The aim of this study is the investigation of geometry and molecular properties of 1,1,2,2-tetra chlorospiropentane and corresponding diradical.