Structural study of analogues of Wilkinson’s compound [Rh(X)(PPh3)3] (X = NCO, NCS, N3, N(CN)2) and derivatives [Rh(NCO)(O2)(PPh3)3] and [Rh(η6-C6H5B(NCO)Ph2)(PPh3)2]

Experimental and computational tuning of metalla-N-heterocyclic carbenes at palladium(ii) and platinum(ii) centers

“…The common method for the preparation of thiocyanate complexes from chloride substrates is a metathetic reaction with NaNCS or KSCN in an aqueous or alcohol solution, occasionally aided by AgNO 3 to facilitate chloride subtraction. 15 Metathetic reactions of 7–12 with a three-fold excess of NH 4 CNS in acetone/CH 2 Cl 2 at RT for 24 h afforded yellow bis( N -coordinated thiocyanate) complexes 13–18 in good yields (Scheme 1, Route B ). Owing to the poor solubility of 13–18 in the most common solvents, all 13–18 were characterized in solution by means of HR-MS (ESI + ) and in the solid state by FTIR and solid-state 13 C CP/MAS NMR.…”