13C NMR and SCCCMO studies on substituted benzophenonetricarbonylchromium complexes

¹³C NMR studies on benzophenonetricarbonylchromium and its p-F, p-Cl and p-OCH₃ derivatives, with the substitutents on the uncomplexed rings, show a small substituent effect on the complexed ring and on the carbons of the Cr(CO)₃ group. The SCCCMO calculations show π-electron donation from the ring to the metal but greater σ-electron back-donation which leaves the ring more negatively charged than before complexation. The chromium atom is more positively charged than it is in benzenetricarbonylchromium. The trends is calculated CO bond orders are in agreement with the trends in CO infrared stretching frequencies.