Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 135, Issue 6, Pages 2298-2305Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja310694t
Keywords
-
Categories
Funding
- Office of Basic Energy Sciences of the U.S. Department of Energy [DE-DC0001009]
- Center for Scientific Computing at the CNSI
- Center for Scientific Computing at the MRL
- NSF MRSEC [DMR-1121053]
- NSF [CNS-0960316]
- Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]
- Direct For Computer & Info Scie & Enginr
- Division Of Computer and Network Systems [960316] Funding Source: National Science Foundation
Ask authors/readers for more resources
A comparison of two classes of small molecules relevant to the field of organic electronics is carried out at the molecular and supramolecular levels. First, two molecules that differ only in the position of a pyridyl N-atom within an acceptor fragment are compared and contrasted. X-ray investigation of single crystals reveals that positioning the pyridyl N-atoms proximal to the molecules center changes the molecular shape by bending the molecule into a banana shape. Second, we demonstrate that the banana shape of the molecule can be controlled by replacing a Si atom within the dithienosilole fragment with a C or Ge atom. Here, utilization of cyclopentadithiophene or dithienogermole as the internal electron-rich unit leads to a decrease or an increase in the bending of the conjugated backbone, respectively. Such molecular shape changes alter intermolecular packing and thus affect bulk properties, leading to large differences in the optical, thermal, and crystallization properties.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available