The Influence of Unsaturated Hydrocarbon Ligands on the Stabilization of Platinum Tetramer

In the present study, Pt₄(CH)_n (1 ≤ n ≤ 7) and Pt₄(benzene)₂ metalorganic complexes have been investigated by performing density functional theory within spin polarized local density approximation, generalized gradient approximation and hybrid exchange correlation functionals in terms of the geometric properties, stability and energetics, electronic properties and chemical reactivity indexes. Locally stable isomers are distinguished from transition states by vibrational frequency analysis. Our calculations indicate that Pt₄(CH)₄ and Pt₄benzene metal hydrocarbon complexes are the most stable structures among the studied species.