title: Synthesis, characterization, photophysical, and computational studies of rhenium(I) tricarbonyl complexes containing the derivatives of bipyrazine.
abstract: The chloro and pyridinate derivatives of rhenium(I) tricarbonyl complexes containing the diimine ligands 2,2'-bipyrazine (bpz) and 5,5'-dimethyl-2,2'-bipyrazine (Me2bpz) are reported. Absorption maxima occur in the visible and ultraviolet regions of the spectrum; emission is structureless at room temperature and at 77 K; the infrared spectrum consists of three carbonyl stretches; electrochemically, a reversible reduction, an irreversible reduction, and an irreversible oxidation take place. Some ring protons are shielded and others deshielded in the presence of the methyl substituents attached to the bpz ring. DFT and TDDFT calculations provide insight into interpreting electronic and vibrational properties of the complexes. When compared to similar rhenium(I) tricarbonyl complexes of 2,2'-bipyridine (bpy) and 2,2'-bipyrimidine (bpm), the Me2bpz complexes are comparable to bpm derivatives and their properties are intermediate between those of bpy and bpz complexes.
authors.affiliation: Department of Chemistry, Wichita State University, Wichita, KS 67260-0051, USA.
authors.forename: Robert
authors.initials: R
authors.lastname: Kirgan
authors.forename: Megan
authors.initials: M
authors.lastname: Simpson
authors.forename: Curtis
authors.initials: C
authors.lastname: Moore
authors.forename: Jeff
authors.initials: J
authors.lastname: Day
authors.forename: Loan
authors.initials: L
authors.lastname: Bui
authors.forename: Clayton
authors.initials: C
authors.lastname: Tanner
authors.forename: D Paul
authors.initials: DP
authors.lastname: Rillema