Singlet fission in pentacene dimers

被引：373

作者：

Zirzlmeier, Johannes ^{[1
,2
]}

Lehnherr, Dan ^{[3
]}

Coto, Pedro B. ^{[2
,4
]}

Chernick, Erin T. ^{[5
,6
]}

Casillas, Ruben ^{[1
,2
]}

Basel, Bettina S. ^{[1
,2
]}

Thoss, Michael ^{[2
,4
]}

Tykwinski, Rik R. ^{[5
,6
]}

Guldi, Dirk M. ^{[1
,2
]}

机构：

[1] Univ Erlangen Nurnberg, Dept Chem & Pharm, D-91058 Erlangen, Germany

[2] Univ Erlangen Nurnberg, Interdisciplinary Ctr Mol Mat, D-91058 Erlangen, Germany

[3] Univ Alberta, Dept Chem, Edmonton, AB T6G 2G2, Canada

[4] Univ Erlangen Nurnberg, Inst Theoret Phys, D-91058 Erlangen, Germany

[5] Univ Erlangen Nurnberg, Dept Chem & Pharm, D-91054 Erlangen, Germany

[6] Univ Erlangen Nurnberg, Interdisciplinary Ctr Mol Mat, D-91054 Erlangen, Germany

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 2015年 / 112卷 / 17期

关键词：

acene oligomers; excited states; singlet fission; multireference perturbation theory; time-resolved spectroscopy; EXCITON-FISSION; MODEL; EFFICIENCY; MOLECULES; MECHANISM; DYNAMICS; KINETICS; STATE; FILMS;

D O I：

10.1073/pnas.1422436112

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Singlet fission (SF) has the potential to supersede the traditional solar energy conversion scheme by means of boosting the photon-to-current conversion efficiencies beyond the 30% Shockley-Queisser limit. Here, we show unambiguous and compelling evidence for unprecedented intramolecular SF within regioisomeric pentacene dimers in room-temperature solutions, with observed triplet quantum yields reaching as high as 156 +/- 5%. Whereas previous studies have shown that the collision of a photoexcited chromophore with a ground-state chromophore can give rise to SF, here we demonstrate that the proximity and sufficient coupling through bond or space in pentacene dimers is enough to induce intramolecular SF where two triplets are generated on one molecule.

引用

页码：5325 / 5330

页数：6

共 36 条

[1] Nonadiabatic Dynamics of Charge Transfer and Singlet Fission at the Pentacene/C60 Interface [J].