Abstract

Cr(CO) 5(phen) generated as an intermediate of photochemical carbonyl substitution in Cr(CO) 6 with 1,10-phenanthroline (phen) has been investigated by laser flash photolysis with infrared detection. The Cr(CO) 5 moiety was found to have a square-pyramidal structure by analyzing with the Cotton-Kraihanzel force field. Simulation, based on the correlation of CO-stretching force constants with the bond indices calculated by ZINDO-MO, revealed that phen coordinated unusually in a monodentate fashion and the interaction between Cr and another nitrogen was antibonding.

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