Theoretical study of bicyclo[2.2.0]hexaplumbane. A more flexible and less strained Pb skeleton compared with C, Si, Ge, and Sn skeletons

Abstract

Ab initio calculations predict that bicyclo[2.2.0]hexaplumbane is less strained than its lighter analogues and prefers C₂ to C_2v symmetry, but the energy difference between C₂ and C_2v is remarkably small despite the considerable geometrical differences.