title: Spectroscopy and electronic structures of Ru2(ap)4-alkynyl compounds.
abstract: A new N,N'-bidentate ligand, 2-(3-isobutoxyanilino)pyridine (H(i)BuOap), was introduced and used as the ancillary ligand to support highly soluble diruthenium compounds. Thus, the new compounds Ru(2)((i)BuOap)(4)Cl (1), Ru(2)((i)BuOap)(4)(C[triple bond]CPh) (2), Ru(2)((i)BuOap)(4)(C[triple bond]CPh)(2) (3), and Ru(2)((i)BuOap)(4)(C[triple bond]CSi(i)Pr(3)) (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 Ru(2)(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 Ru(2)(ap)(4)-based alkynyl compounds and assignment of the observed electronic transitions.
authors.affiliation: Department of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, USA.
authors.forename: Lei
authors.initials: L
authors.lastname: Zhang
authors.forename: Bin
authors.initials: B
authors.lastname: Xi
authors.forename: Isiah
authors.initials: I
authors.lastname: Po-Chun Liu
authors.forename: M M R
authors.initials: MM
authors.lastname: Choudhuri
authors.forename: Robert J
authors.initials: RJ
authors.lastname: Crutchley
authors.forename: James B
authors.initials: JB
authors.lastname: Updegraff
authors.forename: John D
authors.initials: JD
authors.lastname: Protasiewicz
authors.forename: Tong
authors.initials: T
authors.lastname: Ren