FT-IR, FT-Raman and UV–Vis spectra and DFT calculations of 3-cyano-4-methylcoumarin

Sri, N. Udaya; Chaitanya, Kadali; Prasad, M.V.S.; Veeraiah, V.; Veeraiah, A.

doi:10.1016/j.saa.2012.07.055

Cited by 28 publications

(6 citation statements)

References 28 publications

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“…In this work a strong band was observed at 1651 cm À1 and assigned to the C]O stretching vibration, which appears at a frequency slightly lower than the expected since it is forming a a, b-unsaturated system that generates an electron delocalization in the C]O bond. This stretching vibration was calculated at 1710 cm À1 (HF); 1626 cm À1 (MP2); 1630 cm À1 (B3LYP); 1638 cm À1 (B3PW91), which was found consistent with some related work [39].…”

Section: C]o Vibrationssupporting

confidence: 90%

Experimental and theoretical studies on the structure and spectroscopic properties of (E)-1-(2-aminophenyl)-3-(pyridine-4-yl) prop-2-en-1-one

Cruz-Ortiz

Lopez

Ríos

et al. 2015

Journal of Molecular Structure

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Section: C]o Vibrationssupporting

confidence: 90%

Experimental and theoretical studies on the structure and spectroscopic properties of (E)-1-(2-aminophenyl)-3-(pyridine-4-yl) prop-2-en-1-one

Cruz-Ortiz

Lopez

Ríos

et al. 2015

Journal of Molecular Structure

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“…The theoretical wavenumber is at 1801 cm −1 for two conformers of coumarone. The reported values of stretching vibrations of COC in the coumarone ring was 1216 and 919 cm −1 for 3– (bromoacetyl) coumarone 1297 and 909 cm −1 for 3‐cyano‐4‐methylcoumarone . In this work, these vibrations were observed at 1254 and 838 cm −1 in FTIR spectrum.…”

Section: Resultssupporting

confidence: 57%

Synthesis, characterization, and dielectric properties of polymers functionalized with coumarone and diethanolamine

Bezgin

Ayaz

Demirelli

2015

J of Applied Polymer Sci

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A series polymers of the poly(4-{[bis(2-hydroxyethyl)amino]methyl}-2-oxo-2H-chromen-7-yl-2-methylpropanoate), P(CIMMAOC)-DEA, were synthesized by modification of poly(4-(chloromethyl)-2-oxo-2H-chromen-7-yl-2-ethylpropanoate), P(CIM-MAOC), with diethanolamine (DEA). All polymers were structurally characterized by FTIR, 1 H NMR, UV-vis, and Fluorescence spectra. The electronic features of the polymer, such as lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) energies and electrostatic potential (ESP), and the vibrational frequencies were computed by the Becke3-Lee-Yang-Parr (B3LYP) functional using 3-21G* basis set. Dielectric measurements for P(CIMMAOC) and P(CIMMAOC)-DEA were performed by means of an impedance analyzer as a function of frequency and temperature. It was found that the dielectric constant values decreased in the applied frequency range. The values of dielectric constant increased with a rise in concentrations of DEA in polymer for all temperatures. Dielectric constants of P(CIMMAOC) and P(CIMMAOC)-DEA (60%) were calculated as 3.93 and 12.29 at 1 kHz, respectively.

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“…The UV-Vis absorption spectrum of GO shows a (π—π*) plasmon peak near 223 nm, which is attributed to the conjugative effect of nanometer-scale sp 2 clusters and linking chromophore, such as —C = O and —C–O groups 6 8 26 . The strong electron donation and withdrawing (through resonance and inductive effects) nature of —NH 2 and —C≡N groups in r-FGO increases the red shift, with UV-Vis absorptions in the range of 225–323 nm (225, 230, 247, 267, 280, 302, and 323 nm) 27 28 . The increase in absorption peaks at 225, 230 and 247 nm is attributed to the functionalization of —C≡N, —NH 2 , and —CH = CH 2 groups, respectively, in the r-FGO network 27 28 .…”

Section: Resultsmentioning

confidence: 99%

“…The strong electron donation and withdrawing (through resonance and inductive effects) nature of —NH 2 and —C≡N groups in r-FGO increases the red shift, with UV-Vis absorptions in the range of 225–323 nm (225, 230, 247, 267, 280, 302, and 323 nm) 27 28 . The increase in absorption peaks at 225, 230 and 247 nm is attributed to the functionalization of —C≡N, —NH 2 , and —CH = CH 2 groups, respectively, in the r-FGO network 27 28 . The absorption bands at 267 and 280 nm indicate an increase in the (π—π*) electronic conjugation within r-FGO 8 29 .…”

Section: Resultsmentioning

confidence: 99%

Submerged Liquid Plasma for the Synchronized Reduction and Functionalization of Graphene Oxide

Senthilnathan

Liu

Rao

et al. 2014

Sci Rep

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Formation of reduced and functionalized graphene oxide (r-FGO) at ambient temperature and pressure is demonstrated by generating liquid plasma submerged in acetonitrile and graphene oxide solution. The partial restoration of conjugation (sp2 domain) and insertion of fluorophores such as nitrile and amine in r-FGO displays enhanced fluorescence property. Presence of nitrile and amine in r-FGO are confirmed by X-ray photoelectron spectroscopy and Fourier transforms infrared spectroscopy. Morphology and optical property of r-FGO are studied with transmission electron microscopy, scanning tunneling microscopy and Ultraviolet–visible spectroscopy measurements. The nitrile and amine present in r-FGO undergo a surface-controlled reversible redox reaction and sp2- enriched r-FGO acts as an electrical double layer, providing additional hybrid capacitance or pseudocapacitance. r-FGO shows high cyclic stability with a specific capacitance value of 349 F/g at the scan rate of 10 mV/s. Only marginal reduction of specific capacitance (<10% reduction) is observed at the end of 1000 cycles.

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FT-IR, FT-Raman and UV–Vis spectra and DFT calculations of 3-cyano-4-methylcoumarin

Cited by 28 publications

References 28 publications

Experimental and theoretical studies on the structure and spectroscopic properties of (E)-1-(2-aminophenyl)-3-(pyridine-4-yl) prop-2-en-1-one

Experimental and theoretical studies on the structure and spectroscopic properties of (E)-1-(2-aminophenyl)-3-(pyridine-4-yl) prop-2-en-1-one

Synthesis, characterization, and dielectric properties of polymers functionalized with coumarone and diethanolamine

Submerged Liquid Plasma for the Synchronized Reduction and Functionalization of Graphene Oxide

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