Palladium complexes with PCP ligands.: Preparation and structural studies of two forms of [(PCP)Pd(OH 2)] +BF 4 −

Abstract

Abstraction of chloride from the Pd complex {[η 3-2,6-( tBu 2PCH 2) 2C 6H 3)]PdCl with AgBF 4 in THF gives {[η 3-2,6-( tBu 2PCH 2) 2C 6H 3)]Pd(THF)} +BF 4 − . Attemped crystallization of this THF complex produced the aqua complex {[η 3-2,6-( tBu 2PCH 2) 2C 6H 3)]Pd(OH 2)} +BF 4 − . Crystal structures of two crystalline forms of this compound are reported. In {[η 3-2,6-( tBu 2PCH 2) 2C 6H 3)]Pd(OH 2)} +BF 4 − ·THF, one hydrogen of the water is hydrogen bonded to the oxygen of the THF, and the other hydrogen is hydrogen bonded to an F of the BF 4 − anion. Another crystalline form has no THF, but has both of the hydrogens of water hydrogen bonded to different BF 4 − anions, such that two different BF 4 − anions bridge two {[η 3-2,6-( tBu 2PCH 2) 2C 6H 3)]Pd(OH 2)} + cations. A crystal structure is also reported for the palladium chloride complex [η 3-2,6-( tBu 2PCH 2) 2C 6H 3)]PdCl.