title: Fourier transform Raman and DFT study of three annulated oligothiophenes with different molecular shapes.
abstract: Herein, we study the conjugation properties of three different thienoacenes, each of which has three or four fused thiophene rings, by means of Fourier transform Raman spectroscopy. The B3LYP/6-31G** vibrational analysis of all of the collected spectroscopic data evidences that the selective enhancement of a limited number of Raman scatterings is related to the occurrence in the three thienoacenes of a vibronic coupling between the lowest unoccupied frontier molecular orbital (LUMO) and some Raman-active skeletal nu(C==C) stretching modes of 1600-1300 cm(-1).
authors.affiliation: Department of Physical Chemistry, University of Málaga, 29071 Málaga, Spain.
authors.forename: Reyes
authors.initials: R
authors.lastname: Malavé Osuna
authors.forename: Rocio
authors.initials: R
authors.lastname: Ponce Ortiz
authors.forename: Mari Carmen
authors.initials: MC
authors.lastname: Ruiz Delgado
authors.forename: Valentin G
authors.initials: VG
authors.lastname: Nenajdenko
authors.forename: Viktor V
authors.initials: VV
authors.lastname: Sumerin
authors.forename: Elizabeth S
authors.initials: ES
authors.lastname: Balenkova
authors.forename: Víctor
authors.initials: V
authors.lastname: Hernández
authors.forename: Juan Teodomiro
authors.initials: JT
authors.lastname: López Navarrete