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Spin-dependent charge recombination along para-phenylene molecular wires

Abstract:

We have used an efficient new quantum mechanical method for radical pair recombination reactions to study the spin-dependent charge recombination along PTZ•+-Phn-PDI•- molecular wires. By comparing our results with the experimental data of Weiss et al. [J. Am. Chem. Soc. 126, 5577 (2004)], we are able to extract the spin-dependent (singlet and triplet) charge recombination rate constants for wires with n = 2-5. These spin-dependent rate constants have not been extracted previously from the ex...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1063/1.4997482

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
More by this author
Institution:
University of Oxford
Oxford college:
St Edmund Hall
Role:
Author
More from this funder
Funding agency for:
Fay, T
Grant:
EP/L015722/1
Publisher:
AIP Publishing Publisher's website
Journal:
Journal of Chemical Physics Journal website
Volume:
147
Issue:
6
Pages:
1-11
Publication date:
2017-08-01
Acceptance date:
2017-07-01
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
Pmid:
28810799
Source identifiers:
724230
Language:
English
Keywords:
Pubs id:
pubs:724230
UUID:
uuid:9b7b1c4e-9c0b-455f-960e-6340bb16262b
Local pid:
pubs:724230
Deposit date:
2017-08-25

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