Energy profile, spectroscopic (FT–IR, FT–Raman and FT–NMR) and DFT studies of 4–bromoisophthalic acid

Crystallographic and Computational Studies of 4H-Pyran-3-carboxylate Derivative Tethered with Amino and Methacryloyloxyethyl Units

“…Further, in most of the bromoaryl molecules, the stretching vibrations of C-Br present in the range between 650 and 395 cm -1 [32]. In the simulated spectrum of 4H-pyran derivative 1, the aromatic C-Br stretching vibrations appeared at 679 cm -1 .…”

“…In the FT-IR spectrum, the C=O group with various environments generally appear as a strong band in the range between 1800-1600 cm -1 [31], [32]. In the 4H-pyran derivative 1, the C=O stretching vibrations of O14=C13, attached to carbon containing olefin and methyl group and O8=C7, connected to pyran molecule are theoretically resulted at 1777 and 1763 cm -1 , respectively.…”

Novel Pyran Derivative Ornamented with free Amino and Nitrile Functionalities: Synthesis and Spectroscopic Characterization

“…In most of the bromoaryl molecules, the stretching vibrations of C-Br present in the range between 650 and 395 cm -1 [27]. In the FT-IR spectrum, the characteristic band resulted at 675 cm -1 is corresponds to stretching vibrations of carbon -bromo bond.…”

“…In the FT-IR spectrum, the carbonyl group with various environments generally appear as a strong band in the range between 1800-1600 cm -1 [26,27]. In the 4H-pyran derivative 1, the C=O stretching vibrations of the carbonyl group connected to the carbon carrying olefinic functionality as well as methyl moiety and the other C=O group attached to a carbon of pyran nucleus are resulted at 1749 and 1689 cm -1 , respectively.…”