The infrared spectrum of acetone oxime vinyl ether (AOVE) has been studied for the gaseous, liquid and solid phases as well as in an inert matrix at low temperatures. HF-SCF calculations have been carried out on AOVE and they predict the presence of one dominant rotamer with a heavy atom...
In this study, solvent-induced frequency shifts (SIFS) in the infrared spectrum of acetone and dimethyl sulfoxide in organic solvents were investigated by ... YH Ou,CM Chang,YS Chen - 《Spectrochimica Acta Part A Molecular & Biomolecular Spectroscopy》 被引量: 0发表: 2016年 A QSPR study on...
The pure rotational Raman spectrum of chloroform Journal of Molecular Spectroscopy, Volume 14, Issues 1–4, 1964, Pages 53–61 Original Research Article PDF (532 K) Low-frequency Raman and far-infrared spectra of acetone/chloroform mixtures 1997, Vibrational Spectroscopy more T.S. Perova, D.H....
It is found that the simulated spectrum in the region associated with the proton transfer mode is exquisitely sensitive to the height of the barrier for proton transfer. Comparison of the experimental and the MD simulated spectra establishes that the barrier height is around 2.5 kcal/mol, which ...
acetone and f i nallydried in air.The infrared spectra were recorded with a PerkinElmer 580 B spectrophotometer, using the KBr pellettechnique.The compound belongs to the orthorhombic spacegroup Pnma with Z=4 and consists of a highly con-densed three-dimensional framework of corner shar-ing VO...
The invention relates to a near-infrared spectral detection method for the residual content of a solvent N,N'-dimethylacetamide (DMAC) in polyurethane elastic fiber filaments. The method comprises the following steps: (1) preparing a series of acetone and DMAC solutions of different concentrations,...
The infrared and Raman spectra of (CF 3) 2C C O, (CF 3) 2C N N, and (CF 3) 2C NH are reported and assigned. C 2 v symmetry is satisfactory for the first two substances. The torsions could not be located. Our data, when compared with that for hexafluoroacetone, indicate t...
(i.e., organic and inorganic) are excited. Hence, the MIR spectrum of a sample is frequently referred to as the ‘molecular fingerprint’ enabling the detection and quantification of a wide range of relevant molecular compounds in environmental, health and medical, industrial, and security and ...
3) Near infrared reflectance spectrum 近红外漫反射光谱 例句>> 4) near-infrared spectroscopy 近红外漫反射光谱 1. The application of PLS and near-infrared spectroscopy for Paracetamol non-destructive quantitative analysis were investigated and the best mathematic modei. 研究了应用偏最小二乘法(PLS...
IR spectroscopy produces an IR spectrum, a plot of intensity versus wavenumber, with peak intensities proportional to concentration. This method has the advantages of being fast while still providing lots of information, and it is sensitive to very small samples. However, applying IR spectroscopy to...