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Oriented Internal Electrostatic Fields Cooperatively Promote Ground- and Excited-State Reactivity: A Case Study in Photochemical CO2 Capture

Blyth, Mitchell; Noble, Dr Benjamin; Russell, Isabella; Coote, Michelle


Oriented electrostatic fields can exert catalytic effects upon both the kinetics and the thermodynamics of chemical reactions; however, the vast majority of studies thus far have focused upon ground-state chemistry and rarely consider any more than a single class of reaction. In the present study, we first use density functional theory (DFT) calculations to clarify the mechanism of CO2 storage via photochemical carboxylation of o-alkylphenyl ketones, originally proposed by Murakami et al. (J....[Show more]

CollectionsANU Research Publications
Date published: 2020-01-08
Type: Journal article
Source: Journal of the American Chemical Society
DOI: 10.1021/jacs.9b12186
Access Rights: Open Access


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