Electrons are transported through phenylene-ethynylene oligomer monolayers via localized molecular orbitals

被引:84
作者
Fan, FRF
Lai, RY
Cornil, J
Karzazi, Y
Brédas, JL
Cai, LT
Cheng, L
Yao, YX
Price, DW
Dirk, SM
Tour, JM
Bard, AJ [1 ]
机构
[1] Univ Texas, Dept Chem & Biochem, Austin, TX 78712 USA
[2] Univ Texas, Ctr Nano & Mol Sci, Austin, TX 78712 USA
[3] Univ Mons, Lab Chem Novel Mat, B-7000 Mons, Belgium
[4] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
[5] Rice Univ, Dept Chem, Houston, TX 77005 USA
[6] Rice Univ, Ctr Nanoscale Sci & Technol, Houston, TX 77005 USA
[7] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA
关键词
D O I
10.1021/ja038189c
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We report excellent correlations between the first negative threshold potentials (VTHS) for electric conduction, electrochemical potentials, and computed lowest unoccupied molecular orbital energies in a series of phenylene-ethynylene oligomers bearing a sulfur-based anchoring unit and different electroactive substituents on the central benzene ring. The theoretical and electrochemical results strongly suggest that the peaks observed in the i-V curves have a true molecular origin and are associated with distinct unoccupied molecular levels of the compounds that are strongly localized on the central ring (except for compound I). This localization might account for the existence of a long-lived radical-anion state that permits lateral electron hopping and leads to charge trapping and storage.
引用
收藏
页码:2568 / 2573
页数:6
相关论文
共 35 条
[31]   A theoretical analysis of metal-molecule contacts [J].
Seminario, JM ;
De la Cruz, CE ;
Derosa, PA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (23) :5616-5617
[32]   Rapid electron tunneling through oligophenylenevinylene bridges [J].
Sikes, HD ;
Smalley, JF ;
Dudek, SP ;
Cook, AR ;
Newton, MD ;
Chidsey, CED ;
Feldberg, SW .
SCIENCE, 2001, 291 (5508) :1519-1523
[33]   THE ROLE OF REDOX CHEMISTRY IN SCANNING-TUNNELING-MICROSCOPY IMAGING OF ELECTROACTIVE FILMS [J].
SNYDER, SR ;
WHITE, HS .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1995, 394 (1-2) :177-185
[34]   Negative differential resistance in the scanning-tunneling spectroscopy of organic molecules [J].
Xue, YQ ;
Datta, S ;
Hong, S ;
Reifenberger, R ;
Henderson, JI ;
Kubiak, CP .
PHYSICAL REVIEW B, 1999, 59 (12) :R7852-R7855
[35]   INTERMEDIATE NEGLECT OF DIFFERENTIAL-OVERLAP TECHNIQUE FOR SPECTROSCOPY OF TRANSITION-METAL COMPLEXES - FERROCENE [J].
ZERNER, MC ;
LOEW, GH ;
KIRCHNER, RF ;
MUELLERWESTERHOFF, UT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (02) :589-599