Electron and energy transfer in donor–acceptor systems with conjugated molecular bridges

Albinsson, Bo; Eng, Mattias P.; Pettersson, Karin; Winters, Mikael U.

doi:10.1039/b706122f

Cited by 218 publications

(215 citation statements)

References 125 publications

(188 reference statements)

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“…Triplet energy transfer mediated by a number of bridges in porphyrin-based DBA systems has been studied by Albinsson et al 34,35,[70][71][72][73] In Ref. 35, a time-dependent DFT study to triplet excitation energy transfer in the ZnP-nB-H 2 P model system was also performed.…”

Section: B Intramolecular Triplet Energy Transfermentioning

confidence: 99%

The fragment spin difference scheme for triplet-triplet energy transfer coupling

You

Hsu

2010

The Journal of Chemical Physics

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To calculate the electronic couplings in both inter-and intramolecular triplet energy transfer ͑TET͒, we have developed the "fragment spin difference" ͑FSD͒ scheme. The FSD was a generalization from the "fragment charge difference" ͑FCD͒ method of Voityuk et al. ͓J. Chem. Phys. 117, 5607 ͑2002͔͒ for electron transfer ͑ET͒ coupling. In FSD, the spin population difference was used in place of the charge difference in FCD. FSD is derived from the eigenstate energies and populations, and therefore the FSD couplings contain all contributions in the Hamiltonian as well as the potential overlap effect. In the present work, two series of molecules, all-trans-polyene oligomers and polycyclic aromatic hydrocarbons, were tested for intermolecular TET study. The TET coupling results are largely similar to those from the previously developed direct coupling scheme, with FSD being easier and more flexible in use. On the other hand, the Dexter's exchange integral value, a quantity that is often used as an approximate for the TET coupling, varies in a large range as compared to the corresponding TET coupling. To test the FSD for intramolecular TET, we have calculated the TET couplings between zinc͑II͒-porphyrin and free-base porphyrin separated by different numbers of p-phenyleneethynylene bridge units. Our estimated rate constants are consistent with experimentally measured TET rates. The FSD method can be used for both intermolecular and intramolecular TET, regardless of their symmetry. This general applicability is an improvement over most existing methodologies.

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Section: B Intramolecular Triplet Energy Transfermentioning

confidence: 99%

The fragment spin difference scheme for triplet-triplet energy transfer coupling

You

Hsu

2010

The Journal of Chemical Physics

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“…[8] Rates of intramolecular charge transfer (ICT) in a D-B-A molecule depend on many factors including the nature of the donor, acceptor and bridge moieties, the distance between donor and acceptor, the orientation of the bridge and the electronic coupling between the donor, acceptor and bridge. [9,10,11] ICT may occur by coherent tunneling (a superexchange mechanism) through the bridge, or by incoherent hopping via the bridge. [12] Tunneling occurs when donor and acceptor states mix with the bridge states, which are higher in energy than, and well separated from, the donor and acceptor.…”

Section: Extensive Studies Have Focused On Covalently-linked Donor-brmentioning

confidence: 99%

Oligo(p‐phenyleneethynylene) (OPE) Molecular Wires: Synthesis and Length Dependence of Photoinduced Charge Transfer in OPEs with Triarylamine and Diaryloxadiazole End Groups

Linton

Fox

Pålsson

2015

Chemistry A European J

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Citation for published item: vintonD uFiF nd poxD wFeF nd ¦ lssonD vFyF nd fryeD wFF @PHISA 9yligo@pEphenyleneethynyleneA @yiA moleulr wires X synthesis nd length dependene of photoindued hrge trnsfer in yis with trirylmine nd diryloxdizole end groupsF9D ghemistry X iuropen journlFD PI @IHAF ppF QWWUERHHUF Further information on publisher's website: httpXGGdxFdoiForgGIHFIHHPGhemFPHIRHTHVH Publisher's copyright statement: his is the peer reviewed version of the following rtileX vintonD uF iFD poxD wF eFD ¦ lssonD vFEyF nd fryeD wF F @PHISAD yligo@pEphenyleneethynyleneA @yiA woleulr iresX ynthesis nd vength hependene of hotoindued ghrge rnsfer in yis with rirylmine nd hiryloxdizole ind qroupsF ghemistry E e iuropen tournlD PI @IHAX QWWUERHHUD whih hs een pulished in (nl form t httpXGGdxFdoiForgGIHFIHHPGhemFPHIRHTHVHF his rtile my e used for nonEommeril purposes in ordne ith ileyEgr erms nd gonditions for selfErhivingF Additional information: Use policyThe full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-prot purposes provided that:• a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders.Please consult the full DRO policy for further details. Introduction.

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“…The rigid π-conjugated spacer units were chosen as bridges, because a precise adjustment of the donoracceptor distance is possible, and they possess low attenuation factors [e.g. 0.1-0.57 Å -1 for oligo(phenyleneethynylene) spacer units] [12] to promote fast and efficient charge transfer towards the electron acceptor. C 60 was chosen as electron-accept- ing entity since it exhibits a remarkable electron-accepting ability and low reorganization energy due to its unique, spherical shape.…”

Section: Introductionmentioning

confidence: 99%

Dyads and Triads Based on Phenothiazine, Bis(terpyridine)ruthenium(II) Complexes, and Fullerene

2016

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Abstract:We report the modular synthesis of donor-photosensitizer-bridge-acceptor (D-P-B-A) triads and D-P dyads for the formation of photoinduced charge-separated species. The structures are based on a phenothiazine unit (D), a bis(terpyridine) [bis(tpy)] ruthenium(II) complex (P), several phenylene(ethynylene)-type spacer units (B), and a pyrrolidino[60]fullerene entity (A). The donor-acceptor distance is between 18 and 37 Å and was varied by four different bridging units. The photophysical and electrochemical characterization revealed

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Electron and energy transfer in donor–acceptor systems with conjugated molecular bridges

Cited by 218 publications

References 125 publications

The fragment spin difference scheme for triplet-triplet energy transfer coupling

The fragment spin difference scheme for triplet-triplet energy transfer coupling

Oligo(p‐phenyleneethynylene) (OPE) Molecular Wires: Synthesis and Length Dependence of Photoinduced Charge Transfer in OPEs with Triarylamine and Diaryloxadiazole End Groups

Dyads and Triads Based on Phenothiazine, Bis(terpyridine)ruthenium(II) Complexes, and Fullerene

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