A combined density functional theory and coupled cluster method investigation of the structural properties and stabilities of radical CH (sub 2) CP and its isomers

The doublet potential energy surface of radial system [C (sub 2), H (sub 2), P] is investigated at the UB3LYP/6-311++G-(d.p) and UCCSD (T)/6-311++G (2df, 2p) (single point) levels. The structural nature of stable radical isomers is discussed based on bonding characteristics, single electron spin distribution and comparison with their analogues.