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Spectroscopy and Electronic Structures of Ru2(ap)4-alkynyl Compounds

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journal contribution
posted 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(CCPh) (2), Ru2(iBuOap)4(CCPh)2 (3), and Ru2(iBuOap)4(CCSiiPr3) (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.