TY - JOUR
T1 - Electronic properties of the 2, 6-diiododithieno[3, 2-b:2′, 3′-d]thiophene molecule and crystal
T2 - A joint experimental and theoretical study
AU - Sánchez-Carrera, Roel S.
AU - Odom, Susan A.
AU - Kinnibrugh, Tiffany L.
AU - Sajoto, Tissa
AU - Kim, Eung Gun
AU - Timofeeva, Tatiana V.
AU - Barlow, Stephen
AU - Coropceanu, Veaceslav
AU - Marder, Seth R.
AU - Brédas, Jean Luc
PY - 2010/1/21
Y1 - 2010/1/21
N2 - 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 2m0, comparable to that in the pentacene single crystal.
AB - 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 2m0, comparable to that in the pentacene single crystal.
UR - https://www.scopus.com/pages/publications/75649134263
UR - https://www.scopus.com/pages/publications/75649134263#tab=citedBy
U2 - 10.1021/jp909164w
DO - 10.1021/jp909164w
M3 - Article
AN - SCOPUS:75649134263
SN - 1520-6106
VL - 114
SP - 749
EP - 755
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
IS - 2
ER -