title: Electronic properties of the 2,6-diiododithieno[3,2-b:2',3'-d]thiophene molecule and crystal: a joint experimental and theoretical study.
abstract: 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.
authors.affiliation: School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.
authors.forename: Roel S
authors.initials: RS
authors.lastname: Sánchez-Carrera
authors.forename: Susan A
authors.initials: SA
authors.lastname: Odom
authors.forename: Tiffany L
authors.initials: TL
authors.lastname: Kinnibrugh
authors.forename: Tissa
authors.initials: T
authors.lastname: Sajoto
authors.forename: Eung-Gun
authors.initials: EG
authors.lastname: Kim
authors.forename: Tatiana V
authors.initials: TV
authors.lastname: Timofeeva
authors.forename: Stephen
authors.initials: S
authors.lastname: Barlow
authors.forename: Veaceslav
authors.initials: V
authors.lastname: Coropceanu
authors.forename: Seth R
authors.initials: SR
authors.lastname: Marder
authors.forename: Jean-Luc
authors.initials: JL
authors.lastname: Brédas