1995
DOI: 10.1063/1.468620
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Vibrational spectroscopy of polypyrrole, theoretical study

Abstract: 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 experimen… Show more

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Cited by 140 publications
(87 citation statements)
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“…Similar to the previously reported graphene/polypyrrole composite materials, they are overlapped with the D-band and G-band of graphene [29]. Since these rGO-PPy respectively [30,31]. The band at 1150 cm -1 is due to the stretching vibration of the sulfonate group in pTS [32].…”
Section: Resultssupporting
confidence: 64%
“…Similar to the previously reported graphene/polypyrrole composite materials, they are overlapped with the D-band and G-band of graphene [29]. Since these rGO-PPy respectively [30,31]. The band at 1150 cm -1 is due to the stretching vibration of the sulfonate group in pTS [32].…”
Section: Resultssupporting
confidence: 64%
“…This is the tail of the ~1 eV (~8066 cm -1 ) bipolaron absorption band, which is the signature for electrical conductivity of conducting polymers [42,43]. The broad band around 1550 cm -1 is the characteristic absorption frequency for double bond vibration of the pyrrole ring [9,37,44,45]. Proof of the presence of dexamethasone in the deposited film is clearly seen by the appearance of peaks at 3200-3500 cm -1 (hydroxyl), 2850-3000 cm -1 (methyl) and 1665-1760 cm -1 (carbonyl).…”
Section: Resultsmentioning
confidence: 99%
“…The broad line located at 3400 cm − 1 is typical for pristine and doped polypyrrole [9]. A strong band located around 3400 cm −1 was reported in perchlorate (ClO 4− ) doped polypyrrole [10].…”
Section: Resultsmentioning
confidence: 99%
“…For heavily doped polypyrrole, a complex band structure was noticed for wavelength ranging from 1700 to 1000 cm − 1 [11]. The strongest band is located at 1640 cm − 1 and represents complex out of the plane vibrations [9]. It was suggested [8] that the band located at 1642 cm − 1 originates from amine vibrations within the pyrrole ring.…”
Section: Resultsmentioning
confidence: 99%