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• W2026004552 abstract "The FT-IR (4000-400 cm(-1)) and FT-Raman (4000-100 cm(-1)) spectral measurements and complete assignments of the observed spectra of 2-amino-4-methylbenzothiazole (2A4MBT) have been proposed. Ab initio and DFT calculations have been performed and the structural parameters of the compound were determined from the optimised geometry with 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets and giving energies, harmonic vibrational frequencies, depolarisation ratios, IR intensities and Raman activities. (1)H and (13)C NMR spectra were recorded and (1)H and (13)C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO, LUMO and band gap energies were measured by time-dependent DFT (TD-DFT) approach. The geometric parameters, energies, harmonic vibrational frequencies, IR intensities, Raman activities chemical shifts and absorption wavelengths were compared with the available experimental data of the molecule. The influences of methyl and amino groups on the skeletal modes and on the proton chemical shifts have been investigated." @default.
• W2026004552 created "2016-06-24" @default.
• W2026004552 creator A5014916944 @default.
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• W2026004552 date "2012-03-01" @default.
• W2026004552 modified "2023-09-27" @default.
• W2026004552 title "FTIR, FT-Raman, FT-NMR, UV–visible and quantum chemical investigations of 2-amino-4-methylbenzothiazole" @default.
• W2026004552 cites W1970012312 @default.
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• W2026004552 cites W1973030376 @default.
• W2026004552 cites W1987526848 @default.
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• W2026004552 cites W1988822441 @default.
• W2026004552 cites W1988982985 @default.
• W2026004552 cites W1996657716 @default.
• W2026004552 cites W1999071849 @default.
• W2026004552 cites W1999177040 @default.
• W2026004552 cites W1999742663 @default.
• W2026004552 cites W2003210383 @default.
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• W2026004552 cites W2007274745 @default.
• W2026004552 cites W2007580576 @default.
• W2026004552 cites W2008942129 @default.
• W2026004552 cites W2009551545 @default.
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• W2026004552 cites W2040620332 @default.
• W2026004552 cites W2042818090 @default.
• W2026004552 cites W2045304941 @default.
• W2026004552 cites W2047937197 @default.
• W2026004552 cites W2051237429 @default.
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• W2026004552 doi "https://doi.org/10.1016/j.saa.2011.12.037" @default.
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