Multiply “trapped” 3[trans-Pt(PR3)2(CCC6H4X)2]* conformers in rigid media

Abstract

The complexes (R = Me, Et, Bu; X = H, SMe) exhibit well-defined multi-exponential emissions (2–4 components) in the solid state at 77 and 298 K and in 2MeTHF glasses at 77 K due to multiple frozen conformers exhibiting variable dihedral angles formed by the PtP₂C₂ and C₆H₄ planes. The demonstration was made using X-ray crystallography at various temperatures where different sites are present in the samples, and using geometry optimization (DFT computations) where various stable conformers are noted.