title: H and D attachment to naphthalene: spectra and thermochemistry of cold gas-phase 1-C10H9 and 1-C10H8D radicals and cations.
abstract: Excitation spectra of the 1H-naphthalene (1-C10H9) and 1D-naphthalene (1-C10H8D) radicals, and their cations, are obtained by laser spectroscopy and mass spectrometry of a skimmed free-jet expansion following an electrical discharge. The spectra are assigned on the basis of density functional theory calculations. Isotopic shifts in origin transitions, vibrational frequencies and ionization energies were found to be well reproduced by (time-dependent) density functional theory. Absolute bond dissociation energies, ionization energies and proton affinities were calculated using high-level quantum chemical methods.
authors.affiliation: †School of Chemistry, The University of New South Wales, Sydney, New South Wales 2052, Australia.
authors.forename: Olha
authors.initials: O
authors.lastname: Krechkivska
authors.affiliation: †School of Chemistry, The University of New South Wales, Sydney, New South Wales 2052, Australia.
authors.forename: Callan M
authors.initials: CM
authors.lastname: Wilcox
authors.affiliation: ‡School of Chemistry and Centre of Excellence for Free Radical Chemistry and Biotechnology, The University of Sydney, Sydney, New South Wales 2006, Australia.
authors.forename: Bun
authors.initials: B
authors.lastname: Chan
authors.affiliation: ‡School of Chemistry and Centre of Excellence for Free Radical Chemistry and Biotechnology, The University of Sydney, Sydney, New South Wales 2006, Australia.
authors.forename: Rebecca
authors.initials: R
authors.lastname: Jacob
authors.affiliation: †School of Chemistry, The University of New South Wales, Sydney, New South Wales 2052, Australia.
authors.forename: Yu
authors.initials: Y
authors.lastname: Liu
authors.affiliation: †School of Chemistry, The University of New South Wales, Sydney, New South Wales 2052, Australia.
authors.forename: Klaas
authors.initials: K
authors.lastname: Nauta
authors.affiliation: †School of Chemistry, The University of New South Wales, Sydney, New South Wales 2052, Australia.
authors.forename: Scott H
authors.initials: SH
authors.lastname: Kable
authors.affiliation: ‡School of Chemistry and Centre of Excellence for Free Radical Chemistry and Biotechnology, The University of Sydney, Sydney, New South Wales 2006, Australia.
authors.forename: Leo
authors.initials: L
authors.lastname: Radom
authors.affiliation: †School of Chemistry, The University of New South Wales, Sydney, New South Wales 2052, Australia.
authors.forename: Timothy W
authors.initials: TW
authors.lastname: Schmidt