2015
DOI: 10.1016/j.saa.2014.08.086
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Conformational stability, vibrational (FT-IR and FT-Raman) spectra and computational analysis of m-trifluoromethyl benzoic acid

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Cited by 15 publications
(3 citation statements)
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“…The rocking deformation of C–H and Si–C bond stretching were observed at 843 and 790 cm –1 , respectively (Figure a). The symmetric stretching of the –CF 3 groups in the analyzed diazirines was seen in the 1140 cm –1 region . The diazirine ring was expected to be observed near 1630 cm –1 , but this band was weak in control molecule 5 (Figure b) .…”
Section: Resultsmentioning
confidence: 90%
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“…The rocking deformation of C–H and Si–C bond stretching were observed at 843 and 790 cm –1 , respectively (Figure a). The symmetric stretching of the –CF 3 groups in the analyzed diazirines was seen in the 1140 cm –1 region . The diazirine ring was expected to be observed near 1630 cm –1 , but this band was weak in control molecule 5 (Figure b) .…”
Section: Resultsmentioning
confidence: 90%
“…The symmetric stretching of the −CF 3 groups in the analyzed diazirines was seen in the 1140 cm −1 region. 64 The diazirine ring was expected to be observed near 1630 cm −1 , but this band was weak in control molecule 5 (Figure 5b). 65 The peak at 1631 cm −1 was related to N�N, while the peaks at 1610 and 1344 cm −1 were assigned to the C−N bond.…”
Section: Surface Characterizationmentioning
confidence: 95%
“…Density of states (DOS) [23] which provides the molecular orbital contribution of different constituting elements to the total system is also calculated by using GaussSum program [24]. Electronic spectrum along with HOMO-LUMO energies [25][26][27][28][29][30] of the title compound has been investigated using Time-dependent (TD-DFT) approach.…”
Section: Methodsmentioning
confidence: 99%