Synthesis and characterization of poly(benzobisthiazole)s derived from halogenated phthalic acid and isophthalic acid

Saxena, Rahul; Kandpal, L. D.; Mathur, G. N.

doi:10.1002/pola.10481

Cited by 72 publications

(23 citation statements)

References 19 publications

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“…The C=N stretching skeletal bands [29][30][31] are observed in the range of 1650-1550 cm -1 . For the title compound the bands observed at 1561, 1540 cm -1 in the IR spectrum and at 1568 cm -1 in the Raman spectrum are assigned as υC=N modes.…”

Section: Ir and Raman Spectramentioning

confidence: 99%

Ab initio and density functional theory studies on vibrational spectra of 3-{[(4-methoxyphenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one

Panicker¹,

Varghese²,

Ambujakshan³

et al. 2010

Eur. J. Chem.

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The infrared and Raman spectra of 3-{[(4-methoxyphenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one have been recorded and analysed. Geometry and harmonic vibrational wavenumbers were calculated theoretically using Gaussian 03 set of quantum chemistry codes. Calculations were performed at the Hartree-Fock and DFT (B3LYP) levels of theory using the standard 6-31G* basis. The calculated wavenumbers (B3LYP) agree well with the observed wavenumbers. The proposed assignments of normal modes are based on potential energy distribution (PED) analysis. Calculated infrared intensities and first hyperpolarizability are reported. The prepared compound was identified by NMR and mass spectra. The phenyl C-C stretching modes are equally active as strong bands in both IR and Raman spectra, which are responsible for hyperpolarizability enhancement leading to nonlinear optical activity. The calculated first hyperpolarizability is comparable with the reported values of similar structures and is an attractive object for further studies of non linear optics.

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Section: Ir and Raman Spectramentioning

confidence: 99%

Ab initio and density functional theory studies on vibrational spectra of 3-{[(4-methoxyphenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one

Panicker¹,

Varghese²,

Ambujakshan³

et al. 2010

Eur. J. Chem.

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“…The characteristic nC-H stretching vibrations of the aromatic ring are expected to appear in 3000-3100 cm -1 Frequency range 40,41 . Although nine vibrational bands are predicted in this rang, the nC-H stretching vibration of the title compound is assigned to two strong bands.…”

Section: Aromatic Ringsmentioning

confidence: 99%

New Cerium (III) Complex of Schiff Base (E)-N-Benzylidene-4-Methoxyaniline: Synthesis and Density Functional Theoretical Study of Vibrational Spectra

Imanelakehal¹,

Farhihalamia²,

Saoussenlakehal³

et al. 2016

Orient. J. Chem

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Complex of cerium (III) with (E)-N-benzylidene-4-methoxyaniline is synthesized through a one-pot three-component reaction from aromatic aldehyde, aromatic amine and the CeCl 3 · 7 H 2 O, as an efficient catalyst. This cerium (III) complex is characterized by IR, 1H, and 13C NMRspectroscopy and mass-spectral data. Molecular structure, Mullikan charges, thermodynamic parameters; vibrational frequencies and intensities were calculated by Density Functional theory methods (B3LYP, B3PW91, mPW1PW91 and PBEPBE) using the SDD basis set. The comparison between the calculated and experimental data in order to attain the best quality and to predict the structure, the best performance in the vibration spectra perfected of the title compound, we have found that the harmonic vibration computed are in a good agreement with the observed in IR spectrum, for closest match we calculated optimal scaling factors can recommend for the IR spectral future predictions for unknown compounds of this class. In order to better comparison, we also root mean square values of the experimental and calculated IR bands are 16.64, 16.64, 17.45, 17.66 and the mean absolute percentage error values are 1.33, 1.39, 1.40, and 1.5 for B3LYP, B3PW91, mPW1PW91, and PBEPBE methods respectively.

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“…The resonances between 7.25 and 7.73 ppm were assigned to the hydrogen atoms of the phenyl moiety, which indicated that II was hydrolyzed completely. In the 13 C NMR spectrum, the resonances between 123.92 and 152.12 ppm were assigned to the carbons of the phenyl moiety, and the resonances of carbons of thiazole ring disappeared. The IR spectrum of III showed a characteristic absorption at 2557 cm Ϫ1 attributed to SOH.…”

Section: Monomer Synthesismentioning

confidence: 98%

“…PBT V b 0.57 g (91.6% yield). SO 4 , almost all the polymers were hard to be analyzed by 13 C NMR, except PBT V e which can be dissolved in THF well. 13 …”

Section: Polymer Synthesismentioning

confidence: 99%

“…The resonances between 0.79 and 3.04 ppm were assigned to the hydrogen atoms of 4-tert-butylcyclohexylidene moiety, and resonances between 7.42 and 8.18 ppm were assigned to the hydrogen atoms of the phenyl moiety. A further confirmation of the polymer structure was obtained by analyzing the 13 C NMR spectrum of PBT V e , which could be dissolved in THF-d 8 . The other PBTs V exhibited a poor signal-noise ratio 22 in the 13 C NMR spectrum in D 2 SO 4 .…”

Section: Preparation Of Pbts Vmentioning

confidence: 99%

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Synthesis and characterization of new cardo poly(bisbenzothiazole)s from 1,1‐bis(4‐amino‐3‐mercaptophenyl)‐4‐tert‐butylcyclohexane dihydrochloride

Huang

Yin

2006

J of Applied Polymer Sci

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ABSTRACT:A new monomer 1,1-bis(4-amino-3-mercaptophenyl)-4-tert-butylcyclohexane dihydrochloride, bearing the bulky pendant 4-tert-butylcyclohexylidene group, was synthesized from 4-tert-butylcyclohexanone in three steps. Its chemical structure was characterized by 1 H NMR, 13 C NMR, MS, FTIR, and EA. Aromatic poly(bisbenzothiazole)s (PBTs V) were prepared from the new monomer and five aromatic dicarboxylic acids by direct polycondensation. The inherent viscosities were in the range of 0.63-2.17 dL/g. These polymers exhibited good solubility and thermal stability. Most of the prepared PBTs V were soluble in various polar solvents. Thermogravimetric analysis showed the decomposition temperatures at 10% weight loss that were in the range of 495-534°C in nitrogen. All the PBTs V, characterized by X-ray diffraction, were amorphous. The UV absorption spectra of PBTs V showed a range of max from 334 to 394 nm. All the PBTs V prepared had evident fluorescence emission peaks, ranging from 423 to 475 nm with different intensity.

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Synthesis and characterization of poly(benzobisthiazole)s derived from halogenated phthalic acid and isophthalic acid

Cited by 72 publications

References 19 publications

Ab initio and density functional theory studies on vibrational spectra of 3-{[(4-methoxyphenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one

Ab initio and density functional theory studies on vibrational spectra of 3-{[(4-methoxyphenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one

New Cerium (III) Complex of Schiff Base (E)-N-Benzylidene-4-Methoxyaniline: Synthesis and Density Functional Theoretical Study of Vibrational Spectra

Synthesis and characterization of new cardo poly(bisbenzothiazole)s from 1,1‐bis(4‐amino‐3‐mercaptophenyl)‐4‐tert‐butylcyclohexane dihydrochloride

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