Ultraviolet photodissociation action spectroscopy of the N-pyridinium cation

CS Hansen; SJ Blanksby; N Chalyavi; EJ Bieske; JR Reimers; AJ Trevitt

Journal article

Ultraviolet photodissociation action spectroscopy of the N-pyridinium cation

CS Hansen, SJ Blanksby, N Chalyavi, EJ Bieske, JR Reimers, AJ Trevitt

Journal of Chemical Physics | Published : 2015

DOI: 10.1063/1.4904267

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Abstract

The S1←S0 electronic transition of the N-pyridinium ion (C5H5NH+) is investigated using ultraviolet photodissociation (PD) spectroscopy of the bare ion and also the N2-tagged complex. Gas-phase N-pyridinium ions photodissociate by the loss of molecular hydrogen (H2) in the photon energy range 37 000-45 000 cm-1 with structurally diagnostic ion-molecule reactions identifying the 2-pyridinylium ion as the exclusive co-product. The photodissociation action spectra reveal vibronic details that, with the aid of electronic structure calculations, support the proposal that dissociation occurs through an intramolecular rearrangement on the ground electronic state following internal conversion. Quant..

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Evan Bieske Author

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Funding Acknowledgements

This project was supported financially by the following Australian Research Council (ARC) Grant Nos. S.J.B. and A.J.T.: CE0561607, DP1094135, DP140101237. E.J.B.: DP110100312, DP120100100. J.R.R.: DP110102932. The authors are grateful to the Intersect Resource Allocation Committee and the National Computational Infrastructure (NCI) Merit Allocation Scheme (MAS) for awards of super computing time on the NCI National Facility (ACT, Australia).