Electronic Properties of the 2,6-Diiododithieno[3,2-b:2′,3′-d]thiophene Molecule and Crystal: A Joint Experimental and Theoretical Study

被引：21

作者：

Sanchez-Carrera, Roel S. ^{[1
,2
]}

Odom, Susan A. ^{[1
,2
]}

Kinnibrugh, Tiffany L. ^{[3
]}

Sajoto, Tissa ^{[1
,2
]}

Kim, Eung-Gun ^{[1
,2
]}

Timofeeva, Tatiana V. ^{[3
]}

Barlow, Stephen ^{[1
,2
]}

Coropceanu, Veaceslav ^{[1
,2
]}

Marder, Seth R. ^{[1
,2
]}

Bredas, Jean-Luc ^{[1
,2
]}

机构：

[1] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA

[2] Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA

[3] New Mexico Highlands Univ, Dept Nat Sci, Las Vegas, NM 87701 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2010年 / 114卷 / 02期

基金：

美国国家科学基金会;

关键词：

CHARGE-TRANSPORT; HIGH-MOBILITY; SEMICONDUCTORS; DERIVATIVES; TRANSISTORS; FLUCTUATIONS; POLARIZATION; PERFORMANCE; NAPHTHALENE; OLIGOMERS;

D O I：

10.1021/jp909164w

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：

The electronic properties of the 2,6-diiododithieno[3,2-b:2',3'-d] thiophene molecule and crystal are investigated by means of UV-vis spectroscopy, cyclic voltammetry, X-ray crystallography, and density functional theory. The experimental and calculated properties of the compound are compared to those exhibited by the parent molecule, dithieno[3,2-b:2',3'-d]thiophene. Quantum-chemical studies of the 2,6-diiododithieno[3,2-b:2',3'-d]thiophene crystal suggest uniaxial hole-transport character with an effective mass of about 2m(0), comparable to that in the pentacene single crystal.

引用

页码：749 / 755

页数：7

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