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

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.


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Declaration of Conflict of Interest

No conflicts