Combined experimental and theoretical studies on molecular and vibrational structure of 2-nitrobenzaldehyde and 4-nitrobenzaldehydes are reported. The Fourier transform infrared and Fourier transform Raman spectra of 2NB and 4NB has been recorded in the solid phase. The optimized geometry has been calculated by HF and B3LYP methods with 6-311++G(d,p) basis set. The harmonic vibrational frequenc...

We report the application of target factor analysis (TFA) to the identification of trace analytes in open-path Fourier transform infrared (OP/FT-IR) spectra. Results showed that for components such as methane and ammonia, for which the path-integrated concentration was greater than approximately 100 ppm.m, TFA yielded results that closely match corresponding reference spectra. Furthermore, it w...

We continue to examine the spectra of polymers because they are important materials, and this exercise makes for an excellent infrared (IR) spectral interpretation review. In installment, we look at more hydrocarbon polymers, including polypropylene polystyrene. IR these materials in detail, see how spectroscopy can be used distinguish them from each other.

The vibrational spectra have been investigated for revealing the comprehensive structure of diferrocenyl-oligothienylene-vinylene complex, stimulated by the excellent experimental reports [group of Casado J. Am. Chem. Soc. 2012, 134, 12, 5675]. The IR and Raman spectra were simulated. It is found that the change of charge distribution and bond length are associated with the variation in the fre...

Infrared and Fourier transform Raman spectra are reported for dried mixtures of trehalose and lysozyme. The Raman spectra show effects on the protein amide I band and some sugar bands that are not present when the components are dried separately. Comparison of ir spectra with those published previously show significant differences. It is concluded that these arise because of differences in the ...

In this paper, we have focused on the preparation and characterization of copper oxide nanoparticles by solid state thermal decomposition of copper(I) iodide in the presence of thiosemicarbazone ligands without the need for a catalyst, employing toxic solvent, template or surfactant and complicated equipment, which makes it efficient, one-step, simple and environment-friendly. CuO nanoparticles...

Thymidine was reacted in methanol with four epoxides of varying mutagenicities: propylene oxide, glycidol, epichlorohydrin and trichloropropylene oxide. A single product was detected with each epoxide, and these products had the same retention times on silica high pressure liquid chromatography (HPLC). UV spectra of the products identified them as 3-alkylthymidines, and this was confirmed by in...

General H NMR and C NMR spectra were recorded with a JEOL JNM-Alice 400 spectrometer (400 MHz and 100 MHz, respectively). Chemical shifts are given in parts per million (δ) downfield from internal tetramethylsilane. Infrared spectra were obtained with a Perkin-Elmer FT-IR (Model 1600). Both conventional and high resolution mass spectra were recorded with a JEOL JMS-DX303HF spectrometer. GC Mass...

A chelating agent, 4-benzyloxybenzaldehyde-4-methyl-3-thiosemicarbazone (BBMTSC), containing sulphur and nitrogen donor atoms was synthesized and applied as a ligand for the chelation of Cd(II). Both the BBMTSC and its Cd(II) complex were characterized by elemental analysis, UV-Vis absorption spectra, Fourier transform infrared spectroscopy (FT-IR), mass spectra, nuclear magnetic resonance spec...

We report the results of the Cornell Mid-IR Asteroid Spectroscopy (MIDAS) survey, a program of ground-based observations designed to characterize the 8–13 μm spectral properties of a statistically significant sample of asteroids from a wide variety of visible to near-IR spectral classes. MIDAS is conducted at Palomar Observatory using the Spectrocam-10 (SC-10) spectrograph on the 200-in Hale te...