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dc.contributor.authorJacovella, U
dc.contributor.authorCarrascosa, E
dc.contributor.authorBuntine, JT
dc.contributor.authorRee, N
dc.contributor.authorMikkelsen, K
dc.contributor.authorJevric, M
dc.contributor.authorMoth-Poulsen, K
dc.contributor.authorBieske, EJ
dc.date.accessioned2020-11-27T00:31:27Z
dc.date.available2020-11-27T00:31:27Z
dc.date.issued2020-08-06
dc.identifier.citationJacovella, U., Carrascosa, E., Buntine, J. T., Ree, N., Mikkelsen, K., Jevric, M., Moth-Poulsen, K. & Bieske, E. J. (2020). Photo- and Collision-Induced Isomerization of a Charge-Tagged Norbornadiene-Quadricyclane System. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 11 (15), pp.6045-6050. https://doi.org/10.1021/acs.jpclett.0c01198.
dc.identifier.issn1948-7185
dc.identifier.urihttp://hdl.handle.net/11343/252489
dc.description.abstractMolecular photoswitches based on the norbornadiene–quadricylane (NBD–QC) couple have been proposed as key elements of molecular solar thermal energy storage schemes. To characterize the intrinsic properties of such systems, reversible isomerization of a charge-tagged NBD–QC carboxylate couple is investigated in a tandem ion mobility mass spectrometer, using light to induce intramolecular [2 + 2] cycloaddition of NBD carboxylate to form the QC carboxylate and driving the back reaction with molecular collisions. The NBD carboxylate photoisomerization action spectrum recorded by monitoring the QC carboxylate photoisomer extends from 290 to 360 nm with a maximum at 315 nm, and in the longer wavelength region resembles the NBD carboxylate absorption spectrum recorded in solution. Key structural and photochemical properties of the NBD–QC carboxylate system, including the gas-phase absorption spectrum and the energy storage capacity, are determined through computational studies using density functional theory.
dc.languageEnglish
dc.publisherAMER CHEMICAL SOC
dc.rights.urihttps://creativecommons.org/licenses/by/4.0
dc.titlePhoto- and Collision-Induced Isomerization of a Charge-Tagged Norbornadiene-Quadricyclane System
dc.typeJournal Article
dc.identifier.doi10.1021/acs.jpclett.0c01198
melbourne.affiliation.departmentSchool of Chemistry
melbourne.source.titleJournal of Physical Chemistry Letters
melbourne.source.volume11
melbourne.source.issue15
melbourne.source.pages6045-6050
melbourne.identifier.arcDP150101427
melbourne.identifier.arcDP160100474
dc.rights.licensecc-by
melbourne.elementsid1457599
melbourne.contributor.authorBieske, Evan
melbourne.contributor.authorCarrascosa Casado, Eduardo
dc.identifier.eissn1948-7185
melbourne.identifier.fundernameidAustralian Research Council, DP150101427
melbourne.identifier.fundernameidAustralian Research Council, DP160100474
melbourne.accessrightsOpen Access


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