Enacting Two-Electron Transfer from a Double-Triplet State of Intramolecular Singlet Fission

被引：51

作者：

Kim, Hyungjun ^{[1
]}

Keller, Bradley ^{[1
]}

Ho-Wu, Rosina ^{[1
]}

Abeyasinghe, Neranga ^{[1
,2
]}

Vazquez, Ricardo J. ^{[1
]}

Goodson, Theodore, III ^{[1
]}

Zimmerman, Paul M. ^{[1
]}

机构：

[1] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA

[2] Univ Colombo, Dept Chem, Colombo, Sri Lanka

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 140卷 / 25期

关键词：

EXCITON-FISSION; PENTACENE; DYNAMICS;

D O I：

10.1021/jacs.8b01884

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A simulation-led strategy enacts two electron transfer between an intramolecular singlet fission chromophore (tetracyanomethylene quinoidal bithiopehene with beta,beta'-solubilizing groups) and multielectron acceptor (anthraquinone). The thermodynamic plausibility of multielectron transfer from a double-triplet state and the absorption spectra of electron transfer (ET) products were predicted using quantum chemical simulations. These predictions are consistent with experimental observations of reduced lifetimes in time-resolved fluorescence spectroscopy, changes in transmission profile, and appearance of new absorption bands in transient absorption spectroscopy, all of which support multi-ET in the QOT2/AQ mixture. The analysis suggests 2ET is favored over 1ET by a 2.5:1 ratio.

引用

页码：7760 / 7763

页数：4

共 27 条

[11] A metal-free organic-inorganic aqueous flow battery
Huskinson, Brian
Marshak, Michael P.
Suh, Changwon
Er, Sueleyman
Gerhardt, Michael R.
Galvin, Cooper J.
Chen, Xudong
Aspuru-Guzik, Alan
Gordon, Roy G.
Aziz, Michael J.
[J]. NATURE, 2014, 505 (7482) : 195 - +
[12] Constrained Density Functional Theory
Kaduk, Benjamin
Kowalczyk, Tim
Van Voorhis, Troy
[J]. CHEMICAL REVIEWS, 2012, 112 (01) : 321 - 370
[13] Theory of Transient Excited State Absorptions in Pentacene and Derivatives: Triplet-Triplet Biexciton versus Free Triplets
Khan, Souratosh
Mazumdar, Sumit
[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017, 8 (23): : 5943 - 5948
[14] Achieving Accurate Reduction Potential Predictions for Anthraquinones in Water and Aprotic Solvents: Effects of Inter- and Intramolecular H-Bonding and Ion Pairing
Kim, Hyungjun
Goodson, Theodore, III
Zimmerman, Paul M.
[J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (39) : 22235 - 22247
[15] Tuning Singlet Fission in π-Bridge-π Chromophores
Kumarasamy, Elango
Sanders, Samuel N.
Tayebjee, Murad J. Y.
Asadpoordarvish, Amir
Hele, Timothy J. H.
Fuemmeler, Eric G.
Pun, Andrew B.
Yablon, Lauren M.
Low, Jonathan Z.
Paley, Daniel W.
Dean, Jacob C.
Choi, Bonnie
Scholes, Gregory D.
Steigerwald, Michael L.
Ananth, Nandini
McCamey, Dane R.
Sfeir, Matthew Y.
Campos, Luis M.
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017, 139 (36) : 12488 - 12494
[16] Intramolecular Light-Driven Accumulation of Reduction Equivalents by Proton-Coupled Electron Transfer
Kuss-Petermann, Martin
Orazietti, Margherita
Neuburger, Markus
Hamm, Peter
Wenger, Oliver S.
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017, 139 (14) : 5225 - 5232
[17] Singlet Exciton Fission Photovoltaics
Lee, Jiye
Jadhav, Priya
Reusswig, Philip D.
Yost, Shane R.
Thompson, Nicholas J.
Congreve, Daniel N.
Hontz, Eric
Van Voorhis, Troy
Baldo, Marc A.
[J]. ACCOUNTS OF CHEMICAL RESEARCH, 2013, 46 (06) : 1300 - 1311
[18] Electron Transfer from Triplet State of TIPS-Pentacene Generated by Singlet Fission Processes to CH3NH3PbI3 Perovskite
Lee, Sangsu
Hwang, Daesub
Jung, Seok Il
Kim, Dongho
[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017, 8 (04): : 884 - 888
[19] Triplet Harvesting from Intramolecular Singlet Fission in Polytetracene
Pun, Andrew B.
Sanders, Samuel N.
Kumarasamy, Elango
Sfeir, Matthew Y.
Congreve, Daniel N.
Campos, Luis M.
[J]. ADVANCED MATERIALS, 2017, 29 (41)
[20] Singlet Fission
Smith, Millicent B.
Michl, Josef
[J]. CHEMICAL REVIEWS, 2010, 110 (11) : 6891 - 6936

← 1 2 3 →