A combined spectroscopic and theoretical study of a series of aminomethyl end-capped oligothiophenes with potential applications in thin film devices

V. Hernandez, Hitoshi Muguruma, S. Hotta, J. Casado, J. T López Navarrete

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

In this article, we investigate the vibrational properties of a series of π-conjugated α,α′-bis(aminomethyl)oligothiophenes, in the pristine state, as solids. The FT-IR and FT-Raman spectra have been studied in relation to the effective conjugation length of the compounds. We have used ab initio calculations, at the B3LYP/ 6-31G** and RHF/6-31G** levels, as a support of the experimental analysis. Our study reveals that the aminomethyl end groups easily undergo a protonation process upon reaction with atmospheric moisture, although this does not affect the electronic structure of the π-conjugated spine. This structural characteristic of these oligothiophenes brings new practical applications for possible technological developments. (c) 2000 American Chemical Society.

Original languageEnglish
Pages (from-to)735-740
Number of pages6
JournalJournal of Physical Chemistry A
Volume104
Issue number4
Publication statusPublished - 2000 Feb 3
Externally publishedYes

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atmospheric moisture
Thin film devices
spine
Protonation
conjugation
Electronic structure
Raman scattering
Moisture
Raman spectra
electronic structure
thin films

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

A combined spectroscopic and theoretical study of a series of aminomethyl end-capped oligothiophenes with potential applications in thin film devices. / Hernandez, V.; Muguruma, Hitoshi; Hotta, S.; Casado, J.; Navarrete, J. T López.

In: Journal of Physical Chemistry A, Vol. 104, No. 4, 03.02.2000, p. 735-740.

Research output: Contribution to journalArticle

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