التفاصيل البيبلوغرافية
| العنوان: |
Vibrational spectroscopy of polypyrrole, theoretical study. |
| المؤلفون: |
Kostic, R., Rakovic, D., Stepanyan, S. A., Davidova, I. E., Gribov, L. A. |
| المصدر: |
Journal of Chemical Physics; 2/22/1995, Vol. 102 Issue 8, p3104, 6p |
| مصطلحات موضوعية: |
PYRROLES, VIBRATIONAL spectra, RAMAN effect, POLYMERS |
| مستخلص: |
Theoretical vibrational spectra of polypyrrole are presented, based on a single-periodic-chain model and harmonic potential in-plane and out-of-plane parameters transferred from the pyrrole molecule. The infrared-absorption intensities were included in the calculations for the first time in polypyrrole. Experimental spectra are analyzed and compared with theoretical ones. Some modes in the experimental spectra indicate the presence of nonplanar conformation. Also, Raman frequencies were compared with experimental ones. Significant effects of electron–phonon coupling are absent. © 1995 American Institute of Physics. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
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