Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 134, Issue 4, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3526487
Keywords
-
Funding
- Spanish Ministry of Science and Technology [CTQ2009-10098/BQU]
Ask authors/readers for more resources
The Raman spectra of a series of fluorine (F)/dibenzothiophene-S,S-dioxide co-oligomers (S) of different length and alternation sequences in their backbones (FSF, FFSFF, FSFSF, and FASAF; A is the -C=C- bridge) have been recorded and simulated theoretically. It is shown that Raman spectroscopy is useful to probe pi conjugation and ground state electron polarization in these molecules, phenomena directly related with the existence of intramolecular charge-transfer processes owing to the combination of electron donor (fluorene) and acceptor (dibenzothiophene-S,S-dioxide) groups. Their geometric, electronic, and vibrational properties have been studied by density functional theory B3LYP/6-311G(2d,p) quantum chemical calculations and compared with those for fluorene homooligomers. Comparative studies in solution/solid/melted phase led to the conclusion that the Raman wavenumbers are also sensitive to intermolecular interactions. (C) 2011 American Institute of Physics. [doi:10.1063/1.3526487]
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