FTIR and FT-Raman spectra, vibrational assignments and density functional theory calculations of 2,6-Dibromo-4-nitroaniline (cas 27-94-1) and 2-(methylthio)aniline
-
Add time:09/28/2019 Source:infona.pl
The FTIR and FT-Raman spectra of 2,6-Dibromo-4-nitroaniline (cas 27-94-1) (2,6-DB4NA) in solid phase and 2-(methylthio)aniline (2-MTA) in liquid phase were measured. The geometry and normal vibrations have been obtained from the density functional theory (DFT) with the B3LYP method employing the 6–31G* basis set. Scale factors, which bring computational frequencies in closer agreement with the experimental data, have been calculated for predominant vibrational motions of the normal modes. The effects of the amino, bromine, nitro, thio and methyl substituents on vibrational frequencies have been investigated. The infrared and Raman spectra were also predicted from the calculated intensities. The observed and the calculated spectra were found to be in good agreement.
We also recommend Trading Suppliers and Manufacturers of 2,6-Dibromo-4-nitroaniline (cas 27-94-1). Pls Click Website Link as below: cas 27-94-1 suppliers
Prev:Macromolecular derivatives of N,N-di-(2-chloroethyl)-4-phenylenediamine mustard. 1. Synthesis and in vitro hydrolytic stability
Next:Organic/inorganic thin films deposited from DIETHOXYDIMETHYLSILANE (cas 28-62-6) by plasma enhanced chemical vapor deposition) - 【Back】【Close 】【Print】【Add to favorite 】