Synthesis, photophysical properties and catalytic activity of Ƙ3-SCS pincer palladium (II) complex of N,N'-di-tert-butylbenzene-1,3-dicarbothioamide supported by DFT analysis

A bulky and rigid pincer complex [PdCl(L)] (1) was prepared from Li2PdCl4 and HL (L = N,N'-di-tert-butylbenzene-1,3-dicarbothioamide). The complex 1 exhibits good catalytic activity towards Mizoroki-Heck and Suzuki-Miyaura cross-coupling reactions and showed solid state luminescence at ambient conditions. DFT calculations were carried out to trace catalytic pathways and determine the nature of electronic transitions for complex 1.