Search results for " infrared spectroscopy"
showing 10 items of 438 documents
Characterization of Hardwood Soda-AQ Lignins Precipitated from Black Liquor through Selective Acidification
2016
In the development of integrated biorefinery process alternatives to produce value-added by-products, various black liquors from sulfur-free pulping processes offer potential feedstocks for recovering their main chemical constituents, lignin and aliphatic carboxylic acids. In this study, lignin fractions were obtained from silver birch (Betula pendula) soda-anthraquinone black liquor by carbonation (pH to about 8.5) or by acidification (pH to about 2) with H2SO4 after carbonation or directly. These fractions were characterized by Fourier transform infrared (FTIR), ultraviolet (UV), energy dispersive X-ray fluorescence (ED XRF), and 13C nuclear magnetic resonance (13C NMR) spectroscopy. In a…
Preparation and characterization of dummy-template molecularly imprinted polymers as potential sorbents for the recognition of selected polybrominate…
2018
The main aim of this work was to conduct the preliminary/basic research concerning the preparation process of a new dummy molecularly imprinted polymer (DMIP) materials. Developed DMIPs were proposed as a sorption material in solid-phase extraction (SPE) technique for recognition of selected low mass polybrominated diphenyl ethers (PBDEs) – PBDE-47 and PBDE-99. Four new DMIPs were synthesized employing bulky polymerization technique by application of structural analogue of low mass PBDEs - 4,4′-Dihydroxydiphenyl ether, as a dummy template. The DMIPs and corresponding non-imprinted polymers were prepared using different functional monomers: methacrylic acid; methyl methacrylate and different…
Infrared evolved gas analysis during thermal investigation of lanthanum, europium and samarium carbonates
2003
Abstract The characterisation of rare earth elements carbonates (REECs) was performed by thermal analysis (TG–DTG) combined with simultaneous infrared evolved gas analysis–Fourier transform infrared (EGA–FTIR) spectroscopy. The TG–DTG curves were obtained using the Perkin-Elmer PC series TGA-7 thermogravimetric analyser in the temperature range 25–800 °C both in dynamic air and nitrogen atmosphere. La 2 (CO 3 ) 3 · n H 2 O, Eu 2 (CO 3 ) 3 · n H 2 O and Sm 2 (CO 3 ) 3 · n H 2 O were analysed, the dehydration and decarbonation steps were investigated and the water content was calculated. The trace rare earth elements in lanthanum, europium and samarium carbonates were determined by Philips PU…
Extension of the MIRS computer package for the modeling of molecular spectra : from effective to full ab initio ro-vibrational hamiltonians in irredu…
2012
The MIRS software for the modeling of ro-vibrational spectra of polyatomic molecules was considerably extended and improved. The original version (Nikitin, et al. JQSRT, 2003, pp. 239--249) was especially designed for separate or simultaneous treatments of complex band systems of polyatomic molecules. It was set up in the frame of effective polyad models by using algorithms based on advanced group theory algebra to take full account of symmetry properties. It has been successfully used for predictions and data fitting (positions and intensities) of numerous spectra of symmetric and spherical top molecules within the vibration extrapolation scheme. The new version offers more advanced possib…
Macroscopic and Molecular Insights from CO Adsorption on NaY Zeolite: A Combined FTIR and Manometric Study
2012
International audience; This survey combines both quantitative and IR molecular descriptions and aims to provide new insights for the description of CO adsorption on NaY zeolite at 77 K. Quantitative measurements of the number of CO molecules trapped in the microporous super cage are compared to the corresponding IR spectra of CO as adsorbed species. We demonstrate that polycarbonyls formed during the completion of the accessible S-II Na+ coordinative vacancies result in the formation of mono-, di- and tricarbonyls but not consecutively. Quantitative analysis and measurements of the CO molecules that are adsorbed prove that polycarbonyls coexist with different proportions over the adsorptio…
Mid-infrared and Raman spectrometry for quality control of pesticide formulations
2005
This article deals with recent developments in the use of vibrational spectrometry for the quantitative analysis of active components in commercial pesticide formulations. We review the techniques, such as Fourier transform infrared (FTIR) and FT-Raman spectrometries, and measurement modes, such as stopped flow or flow injection. FTIR is being used increasingly in the determination of pesticides in agrochemical products because of its relatively short analysis time. However, FT-Raman spectrometry provides direct analysis of solid and aqueous samples. It is therefore clear that these techniques enable fast, non-destructive, precise and accurate measurements, so vibrational spectrometry appea…
Fourier transform infrared spectrometric determination of Malathion in pesticide formulations
2004
Abstract An environmentally friendly methodology has been developed for quality control analysis of emulsifiable concentrate pesticide formulations containing Malathion as active ingredient, using flow injection analysis (FIA)–Fourier transform infrared (FTIR) spectrometry. Five microlitres samples were directly injected into a 3 ml closed FIA manifold, in which 2 ml of CHCl 3 was re-circulated at 1.96 ml min −1 . After homogenisation and sample measurement, 2 μl volumes of a Malathion standard were injected, taking absorbance measurements after each injection. Peak height of the chemigrams, established from peak area values between 1027 and 1017 cm −1 , corrected with a baseline fixed from…
Flow Injection Analysis– F ourier Transform Infrared Spectrometry ( FIA / FT ‐ IR )
2001
The sections in this article are Advantages and Historical Perspective of the Use of FIA in FT-IR Direct Analysis of Samples by FIA/FT-IR FIA/FT-IR Determinations after Liquid Extraction FIA/FT-IR Determinations after Solid-Phase Extraction Enzymatic Analysis by FIA/FT-IR Vapor Generation FT-IR New Developments
Morphology controlled nano-structures of an octa(phenoxy)-substituted phthalocyaninato zinc complex: solvent effect on the self-assembly behaviour
2014
The 2,3,9,10,16,17,24,25-octakis(phenoxy)phthalocyaninato zinc, (Zn[Pc(OPh)8]) was fabricated into nano-/micro-structures via solution-phase self-assembly. The self-assembling properties of Zn[Pc(OPh)8] in coordinating and non-coordinating solvents (methanol and n-hexane) have been comparatively studied by electronic absorption, fluorescence, Fourier transform infrared spectroscopy (FT-IR), scanning electronic microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD) techniques. The conducting properties were evaluated by current–voltage (I–V) measurements. Due mainly to the presence of different intermolecular Zn–O coordination interactions between the Zn[Pc(OPh)…
UV laser induced photolysis of glycolic acid isolated in argon matrices
2021
The photochemistry of matrix-isolated glycolic acid, induced by UV light, was studied by FTIR spectroscopy and B3LYPD3/6-311++G(3df,3pd) calculations. Several decomposition pathways were found to take place upon 212 nm and 226 nm wavelengths irradiation. A number of complexes formed between photoproducts were identified, among them those of formaldehyde with water, carbon monoxide and carbon dioxide as well as the H2O-CO complexes. The structure and spectroscopic assignment of the photoproducts were made comparing the experimental results with the theoretical predictions and available literature data. The observed formation of different complexes indicates various pathways for their formati…