New palladium(III) compounds of formula Pd 2 [(C 6 H 4 )-PPh 2 ] 2 [OXC(C 6 H 5 )] 2 Cl 2 [3a (X ... more New palladium(III) compounds of formula Pd 2 [(C 6 H 4 )-PPh 2 ] 2 [OXC(C 6 H 5 )] 2 Cl 2 [3a (X = O); 3b (X = S)] were obtained by the oxidation of the analogous palladium(II) ones with PhICl 2 and were characterized by 31 P, 1 H, and 13 C NMR spectroscopy at 223 K. Compound 3a was also structurally characterized by single-crystal X-ray diffraction methods, which revealed a Pd-Pd distance of 2.5212(10) Å. DFT calculations were conducted to study the stability of all of these new palladium(III) and -(II) compounds with focus on the influence of the O↔S substitution of the donor atom in the li-
New palladium(III) compounds of formula Pd 2 [(C 6 H 4 )-PPh 2 ] 2 [OXC(C 6 H 5 )] 2 Cl 2 [3a (X ... more New palladium(III) compounds of formula Pd 2 [(C 6 H 4 )-PPh 2 ] 2 [OXC(C 6 H 5 )] 2 Cl 2 [3a (X = O); 3b (X = S)] were obtained by the oxidation of the analogous palladium(II) ones with PhICl 2 and were characterized by 31 P, 1 H, and 13 C NMR spectroscopy at 223 K. Compound 3a was also structurally characterized by single-crystal X-ray diffraction methods, which revealed a Pd-Pd distance of 2.5212(10) Å. DFT calculations were conducted to study the stability of all of these new palladium(III) and -(II) compounds with focus on the influence of the O↔S substitution of the donor atom in the li-
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