Spatial extent of the singlet and triplet excitons in transition metal-containing poly-ynes

被引:171
作者
Beljonne, D
Wittmann, HF
Kohler, A
Graham, S
Younus, M
Lewis, J
Raithby, PR
Khan, MS
Friend, RH
Bredas, JL
机构
[1] UNIV MONS,SERV CHIM MAT NOUVEAUX,CTR RECH ELECT & PHOTON MOL,B-7000 MONS,BELGIUM
[2] UNIV CAMBRIDGE,CHEM LAB,CAMBRIDGE CB3 EW,ENGLAND
[3] SULTAN QABOOS UNIV,DEPT CHEM,COLL SCI,AL KHOUD 123,OMAN
关键词
D O I
10.1063/1.472207
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present a joint experimental and theoretical investigation of the electronic excitations in transition metal-containing phenylene ethynylenes. The influence of the metal on the nature of the lowest singlet and tripler excited states is characterized. We find that pi conjugation occurs through the metal sites, which deeply modifies the optical properties of the conjugated chains. We also analyze the chain-length dependence of the singlet-singlet, S-0-->S-1, singlet-triplet, S-0-->T-1, and triplet-triplet, T-1-->T-n, transition energies; both experimental data and theoretical results indicate that the lowest triplet exciton, T-1, is strongly localized on a single phenylene ring while the S-1 and T-n states extend over a few repeating units. Finally, we estimate the geometric relaxation phenomena occurring in the lowest excited states and perform a Huang-Rhys analysis of the tripler emission spectrum in model systems. (C) 1996 American Institute of Physics.
引用
收藏
页码:3868 / 3877
页数:10
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