Intermolecular metallophilic interactions in palladium(II) chalcogenolate compounds - An experimental and theoretical study

The compounds [Pd2I2{Te((2.6-OCH3)(2)C6H3)}(2)] (PCy3)(2)] (1), [Pd2I2{Te((2,6-OCH3)(2)C6H3)}(2)(PR2R center dot)center dot 2CH(3)CN (2), [Pd-2{Te((2,6-OCH3)(2)C6H3))(2)(Phen)(2)][Hg2Br6(phen)(2)] (3), [Pd2Cl2(TePh2)(2)(TePh)(2)] center dot DMF (4), [Pd-2(SePh)(2)(2,2' biPY)(2)][HgBr4].2DMF (5), [Pd-2(SePh)(2)-(phen)(2)][Hgl(4)]-5DMF (6), [Pd-2{Te((2,6-OCH3)(2)C6H3))(2)(phen)(2)][Hg(2)l(6)]-[HR((2.6-OCH3)(2)C6H3)(2)] (7) containing[Pd-2(mu-ER)(2)] core (E = Se, Te: R = aryl) were synthesized and characterized by IR spectroscopy. elemental analysis and X-ray crystallography. Intermolecular metallophilic interactions were evaluated through crystallographic studies combined with Density Functional Theory calculations. The structural stability of 4-7 were investigated taking in account the interactions E center dot center dot center dot E, Pd center dot center dot center dot Pd and Pd center dot center dot center dot Hg between [Pd-2 (mu-ER)(2)] cores. (C) 2019 Elsevier Ltd. All rights reserved.