Discrimination between Protonation Isomers of Quinazoline by Ion Mobility and UV-Photodissociation Action Spectroscopy
Marlton, Samuel J.P., McKinnon, Benjamin I., Ucur, Boris, Bezzina, James P., Blanksby, Stephen J., & Trevitt, Adam J. (2020) Discrimination between Protonation Isomers of Quinazoline by Ion Mobility and UV-Photodissociation Action Spectroscopy. Journal of Physical Chemistry Letters, 11(10), 4226–4231.
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Description
The influence of oriented electric fields on chemical reactivity and photochemistry is an area of increasing interest. Within a molecule, different protonation sites offer the opportunity to control the location of charge and thus orientation of electric fields. New techniques are thus needed to discriminate between protonation isomers in order to understand this effect. This investigation reports the UV-photodissociation action spectroscopy of two protonation isomers (protomers) of 1,3-diazanaphthalene (quinazoline) arising from protonation of a nitrogen at either the 1- or 3-position. It is shown that these protomers are separable by field-asymmetric ion mobility spectrometry (FAIMS) with confirmation provided by UV-photodissociation (PD) action spectroscopy. Vibronic features in the UVPD action spectra and computational input allow assignment of the origin transitions to the S1 and S5 states of both protomers. These experiments also provide vital benchmarks for protomer-specific calculations and examination of isomer-resolved reaction kinetics and thermodynamics.
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| ID Code: | 207814 | ||
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| Item Type: | Contribution to Journal (Journal Article) | ||
| Refereed: | Yes | ||
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| Additional Information: | Funding Information: Funding from the Australian Research Council Discovery Program (DP170101596) is gratefully acknowledged. S.J.P.M., B.I.M., B.U., and J.P.B. each acknowledge support from Australian Government Research Training Program Scholarships. A.J.T. also acknowledges key support from UOW SMAH research funding. The authors are also grateful to Profs. C. Jouvet and C. Dedonder (CNRS, Aix Marseille Universite) and Prof. J. Bouwman (Leiden) and Prof P. Mayer (University of Ottawa) for helpful discussions. Computing resources provided by NCMAS from the NCI National Facility (Canberra, Australia). | ||
| Measurements or Duration: | 6 pages | ||
| DOI: | 10.1021/acs.jpclett.0c01009 | ||
| ISSN: | 1948-7185 | ||
| Pure ID: | 75128715 | ||
| Divisions: | Current > Research Centres > Centre for Materials Science Past > QUT Faculties & Divisions > Science & Engineering Faculty Current > QUT Faculties and Divisions > Faculty of Science Current > Schools > School of Chemistry & Physics |
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| Funding Information: | Funding from the Australian Research Council Discovery Program (DP170101596) is gratefully acknowledged. S.J.P.M., B.I.M., B.U., and J.P.B. each acknowledge support from Australian Government Research Training Program Scholarships. A.J.T. also acknowledges key support from UOW SMAH research funding. The authors are also grateful to Profs. C. Jouvet and C. Dedonder (CNRS, Aix Marseille Universite) and Prof. J. Bouwman (Leiden) and Prof P. Mayer (University of Ottawa) for helpful discussions. Computing resources provided by NCMAS from the NCI National Facility (Canberra, Australia). | ||
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| Copyright Owner: | © 2020 American Chemical Society. | ||
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| Deposited On: | 08 Feb 2021 01:51 | ||
| Last Modified: | 18 Feb 2025 12:40 |
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