Electronic spectra of tris(2,2'-bipyridine)-M(II) complex ions in vacuo (M = Fe and Os)

S. Xu, J. Smith, S. Gozem, A.I. Krylov, and J.M. Weber
Inorg. Chem. 56, 7029 – 7037 (2017)

We measured the electronic spectra of mass- selected [M(bpy)3]2+ (M = Fe and Os, bpy = 2,2'-bipyridine) ions in vacuo by photodissociation spectroscopy of their N2 adducts, [M(bpy)3]2+N2. Extensive band systems in the visible (predominantly charge transfer) and near-ultraviolet (pi-pi*) spectral regions are reported. The [M(bpy)3]2+N2 target ions were prepared by condensing N2 onto electrosprayed ions in a cryogenic ion trap at ca. 25 K and then mass-selected by time-of-flight mass spectrometry. The electronic photodissociation spectra of the cold, gas-phase ions closely reflect their intrinsic properties, i.e., without perturbation by solvent effects. The spectra are interpreted using time-dependent density functional theory calculations both with and without accounting for relativistic effects.

Download this paper (PDF)

Related Research

Computational studies of electronically excited and open-shell species: Jahn-Teller systems, radicals, diradicals and triradicals

Interface between electronic structure, spectroscopy, and dynamics