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[1] [2] In physical and analytical chemistry, infrared spectroscopy (IR spectroscopy) is a technique used to identify chemical compounds based on the way infrared radiation is absorbed by the compound. The absorptions in this range do not apply only to bonds in organic molecules.
Spectra were acquired using a pulse flip angle of 22.5 – 45 degrees and a pulse repetition time of 4 – 7 seconds. [4] Samples were prepared by dissolution in CDCl 3 , D 2 O, or DMSO-d 6 . [ 5 ] Each spectrum is accompanied by a list of the observed peaks with their respective chemical shifts in ppm and their intensities.
with the formula HOC 6 H 4 NO 2.Three isomeric nitrophenols exist: . o-Nitrophenol (2-nitrophenol; OH and NO 2 groups are neighboring, a yellow solid.; m-Nitrophenol (3-nitrophenol, CAS number: 554-84-7), a yellow solid (m.p. 97 °C) and precursor to the drug mesalazine (5-aminosalicylic acid).
A solution of 4-nitrophenol appears colorless below pH 5.4 and yellow above pH 7.5. [3] This color-changing property makes this compound useful as a pH indicator. The yellow color of the 4-nitrophenolate form (or 4-nitrophenoxide) is due to a maximum of absorbance at 405 nm (ε = 18.3 to 18.4 mM −1 cm −1 in strong alkali). [4]
Example of a linear molecule. N atoms in a molecule have 3N degrees of freedom which constitute translations, rotations, and vibrations.For non-linear molecules, there are 3 degrees of freedom for translational (motion along the x, y, and z directions) and 3 degrees of freedom for rotational motion (rotations in R x, R y, and R z directions) for each atom.
An ATR accessory for IR spectroscopy. ATR uses a property of total internal reflection resulting in an evanescent wave. A beam of infrared light is passed through the ATR crystal in such a way that it reflects at least once off the internal surface in contact with the sample. This reflection forms the evanescent wave which extends into the sample.
Two-dimensional infrared spectroscopy (2D IR) is a nonlinear infrared spectroscopy technique that has the ability to correlate vibrational modes in condensed-phase systems. This technique provides information beyond linear infrared spectra, by spreading the vibrational information along multiple axes, yielding a frequency correlation spectrum.
Peaks with mass less than the molecular ion are the result of fragmentation of the molecule. Many reaction pathways exist for fragmentation, but only newly formed cations will show up in the mass spectrum, not radical fragments or neutral fragments. Metastable peaks are broad peaks with low intensity at non-integer mass values.