Spectroscopy and Electronic Structures of Ru2(ap)4-alkynyl Compounds
journal contributionposted on 15.06.2009, 00:00 by Lei Zhang, Bin Xi, Isiah Po-Chun Liu, M. M. R. Choudhuri, Robert J. Crutchley, James B. Updegraff, John D. Protasiewicz, Tong Ren
A new N,N′-bidentate ligand, 2-(3-isobutoxyanilino)pyridine (HiBuOap), was introduced and used as the ancillary ligand to support highly soluble diruthenium compounds. Thus, the new compounds Ru2(iBuOap)4Cl (1), Ru2(iBuOap)4(CCPh) (2), Ru2(iBuOap)4(CCPh)2 (3), and Ru2(iBuOap)4(CCSiiPr3) (4) were prepared and characterized by both voltammetric and spectroscopic methods, and their physical properties were found to be quite similar to those of the previously reported Ru2(ap)4-based compounds. The spectroscopic properties of both anionic and cationic derivatives of compounds 2 and 3 were examined with spectroelectrochemistry. Density functional theory calculations performed on model compounds of 2 and 3 provide an in-depth picture of the electronic structures of Ru2(ap)4-based alkynyl compounds and assignment of the observed electronic transitions.