Title of article
Vibrational spectra and ab initio dft calculations of 3,3′-and 4,4′-dimethyl substituted 2,2′-bithiophene.
Author/Authors
Hernلndez، نويسنده , , V. and Casado، نويسنده , , J. and Favaretto، نويسنده , , L. and Distefano، نويسنده , , G. and Navarrete، نويسنده , , J.T. Lَpez and Effenberger، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1999
Pages
2
From page
590
To page
591
Abstract
We present FT-Raman and FT-IR spectra of two β-methyl substituted thiophene dimers. Methylation at β-positions modulates the equilibrium molecular conformation, thus affecting the intramolecular delocalization of π-electrons. Ab initio Density Functional Theory (DFT) calculations have been performed to analyze the experimental data.
Journal title
Synthetic Metals
Serial Year
1999
Journal title
Synthetic Metals
Record number
2072288
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