Palladium complexes with PCP ligands.: Preparation and structural studies of two forms of [(PCP)Pd(OH2)]+BF4 −

Abstraction of chloride from the Pd complex {[η3-2,6-(tBu2PCH2)2C6H3)]PdCl with AgBF4 in THF gives {[η3-2,6-(tBu2PCH2)2C6H3)]Pd(THF)}+BF4 −. Attemped crystallization of this THF complex produced the aqua complex {[η3-2,6-(tBu2PCH2)2C6H3)]Pd(OH2)}+BF4 −. Crystal structures of two crystalline forms of this compound are reported. In {[η3-2,6-(tBu2PCH2)2C6H3)]Pd(OH2)}+BF4 −·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 BF4 − anion. Another crystalline form has no THF, but has both of the hydrogens of water hydrogen bonded to different BF4 − anions, such that two different BF4 − anions bridge two {[η3-2,6-(tBu2PCH2)2C6H3)]Pd(OH2)}+ cations. A crystal structure is also reported for the palladium chloride complex [η3-2,6-(tBu2PCH2)2C6H3)]PdCl.