Synthesis, structure and theoretical study of two rhodium(I) complexes [Rh(TropNMe)(CO)(PPh3)] and [Rh(Trop)(CO)(PPh3)] · Acetone

Rhodium(I) complexes Rh(TropNMe)(CO)(PPh₃)] (TropNMe = 2-(N-methylamino)tropone, ONC₈H₉) (1) and Rh(Trop)(CO)(PPh₃)] · Acetone (Trop = Tropolone, O₂C₇H₆) (2) have been synthesized and characterized by single-crystal X-ray diffraction analysis. A distorted square planar geometry about the rhodium(I) metal centre is observed in both compounds 1 and 2. Substitution of an oxygen atom with a methyl functionalized nitrogen atom does not significantly alter the bond distances and angles in the rhodium(I) complex. A theoretical study at B3LYP/6-31G(d) (main group) and LANL2DZ (Rh) level is presented to clarify the solid state behaviour of these complexes.