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Electrostatically Tuning the Photodissociation of the Irgacure 2959 Photoinitiator in the Gas Phase by Cation Binding

preprint
submitted on 15.11.2020, 23:37 and posted on 17.11.2020, 05:02 by Samuel Marlton, Benjamin I. McKinnon, Nicholas Hill, Michelle Coote, Adam Trevitt

Our paper reports a combined experimental and computational investigation of the electrostatic tuning of Irgacure 2959, a Norrish-type I photoinitiator, in the presence of bound cations (H+ , Li+ , Na+ , K+ , Zn2+ , Ca2+ and Mg2+). Laser photodissociation action spectroscopy is deployed to acquire photodissociation spectra of mass- selected cation complexes. Quantum chemical calculations (TD-DFT and SCS-CC2) reveal that the cations are acting as point charges such that shifts of the key ππ* and nπ* states can be modelled as perturbations by an oriented electric field (OEF). The model agrees with the experimental photodissociation action spectra.

Funding

New laser and mass spectrometry methods for detecting protonation isomers

Australian Research Council

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New photoinitiators and polymers for tack-free LED cured surface coatings

Australian Research Council

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ARC Centre of Excellence for Electromaterials Science

Australian Research Council

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Controlling chemical reactions via pH-switchable electrostatic catalysis

Australian Research Council

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History

Email Address of Submitting Author

adamt@uow.edu.au

Institution

University of Wollongong

Country

Australia

ORCID For Submitting Author

0000-0003-2525-3162

Declaration of Conflict of Interest

No conflicts

Exports