2021
Charge Stabilization in Axially Linked Donor – Aluminum(III) Porphyrin – Fullerene Reaction Center Models
Zarrabi N, Seetharaman S, Chaudhuri S, Holzer N, Batista V, van der Est A, D'Souza F, Poddutoori P. Charge Stabilization in Axially Linked Donor – Aluminum(III) Porphyrin – Fullerene Reaction Center Models. ECS Meeting Abstracts 2021, MA2021-01: 781-781. DOI: 10.1149/ma2021-0116781mtgabs.Peer-Reviewed Original ResearchCharge-separated stateFinal charge-separated stateReaction center modelsRedox potentialRadical pairSequential electron transferSubstitution of phenylCoordination bondsMeso positionsPentafluorophenyl groupsDonor unitsElectron transferCharge stabilizationPorphyrin planeTriad resultsC60Ground stateTrifluorophenylCovalentPorphyrinsRedoxPhenylBondsAcceptorDonors
2018
High-Energy Charge-Separated States by Reductive Electron Transfer Followed by Electron Shift in the Tetraphenylethylene–Aluminum(III) Porphyrin–Fullerene Triad
Zarrabi N, Agatemor C, Lim G, Matula A, Bayard B, Batista V, D’Souza F, Poddutoori P. High-Energy Charge-Separated States by Reductive Electron Transfer Followed by Electron Shift in the Tetraphenylethylene–Aluminum(III) Porphyrin–Fullerene Triad. The Journal Of Physical Chemistry C 2018, 123: 131-143. DOI: 10.1021/acs.jpcc.8b09500.Peer-Reviewed Original ResearchCharge-separated stateCharge separationTime-resolved spectroscopic techniquesReductive electron transferCharge separated statesExcited-state propertiesReference dyadsExcited singlet stateTetraphenylethylene unitsArtificial photosynthesisSupramolecular triadElectron transferSpectroscopic techniquesCovalent bondsPorphyrin planeTetraphenylethyleneElectron migrationPhotochemical reactionsChemical energyElectron shiftSinglet stateAlPorFullerenesPorphyrinsSeparation
2016
Hot Hole Hopping in a Polyoxotitanate Cluster Terminated with Catechol Electron Donors
Bao J, Gundlach L, Yu Z, Benedict J, Snoeberger R, Batista V, Coppens P, Piotrowiak P. Hot Hole Hopping in a Polyoxotitanate Cluster Terminated with Catechol Electron Donors. The Journal Of Physical Chemistry C 2016, 120: 20006-20015. DOI: 10.1021/acs.jpcc.6b06042.Peer-Reviewed Original ResearchPolyoxotitanate clustersQuantum dynamics simulationsIntramolecular vibrational relaxationHole hoppingUltrafast spectroscopyPolaronic excitonsWavepacket propagationInjected electronsPolaronic statesVibrational relaxationCharge transfer bandCharge-separated stateHot holesConduction bandMolecular orbitalsElectronsDepolarization measurementsCatechol ligandInorganic coreCatechol siteCatechol moietyHoppingHolesElectron donorTiO2 core