DELOCALIZATION LENGTH, ELECTRONIC-PROPERTIES AND VIBRATIONAL-SPECTRA OF NEUTRAL ALPHA,ALPHA'-DIMETHYL END-CAPPED OLIGOTHIOPHENES

Authors
HERNANDEZ V CASADO J RAMIREZ FJ ZOTTI G HOTTA S NAVARRETE JTL
Citation
V. Hernandez et al., DELOCALIZATION LENGTH, ELECTRONIC-PROPERTIES AND VIBRATIONAL-SPECTRA OF NEUTRAL ALPHA,ALPHA'-DIMETHYL END-CAPPED OLIGOTHIOPHENES, Synthetic metals, 76(1-3), 1996, pp. 277-280
Citations number
13
Categorie Soggetti
Physics, Condensed Matter","Material Science","Polymer Sciences
Journal title
Synthetic metals → ACNP
ISSN journal
03796779
Volume
76
Issue
1-3
Year of publication
1996
Pages
277 - 280
Database
ISI
SICI code
0379-6779(1996)76:1-3<277:DLEAVO>2.0.ZU;2-1
Abstract
We present FT-Raman and FT-IR spectra of neutral alpha,alpha'-dimethyl end-capped oligothiophenes (to six thiophene units) as solid samples and in solution. Gas-phase potential to internal rotation of alpha,alp ha'-dimethylbithiophene has been predicted by ab initio calculations a t the RHF/6-31G* level, as a model for the theoretical study of the c onformational flexibility of these molecules.