期刊
JOURNAL OF CHEMICAL PHYSICS
卷 134, 期 4, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3526487
关键词
-
资金
- Spanish Ministry of Science and Technology [CTQ2009-10098/BQU]
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]
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据