Synthesis and structural characterization of a triosmium carbonyl cluster containing a 9-anthracenecarbonitrile ligand derived from 9-anthraldehyde oxime

Treatment of [Os3(CO)11(MeCN)] with 1 equivalent of 9-anthraldehyde oxime in refluxing chloroform afforded a new triosmium cluster [Os3(CO)11(C14H9CN)] 1 in moderate yield. Dehydration of oxime and the formation of metal-bound nitrile were observed. Crystal structure analysis revealed that cluster 1 consists of a triangular metal skeleton, with the anthracenecarbonitrile ligand terminally bonded to an osmium atom. Molecular orbital calculations were carried out to gain further insight into the electronic structure of 1. Cluster 1 was also obtained in a higher yield by the reaction of [Os3(CO)11(MeCN)] with 9-anthracenecarbonitrile.