Search results for "Raman Spectroscopy"
showing 10 items of 1007 documents
Vibrational Spectrometry Strategies for Quality Control of Procymidone in Pesticide Formulations
2005
Abstract Two vibrational spectrometry–based methodologies were developed for procymidone determination in wettable powdered pesticide formulations. The Fourier‐transform infrared (FTIR) procedure was based on the selective extraction of procymidone by chloroform and determination by peak area measurement between 1451 and 1441 cm−1, using a baseline correction established between 1490 and 1410 cm−1, and a precision of 0.4% and a limit of detection of 0.01% w/w procymidone for a sample mass of 25 mg were obtained. For FT‐Raman determination, the selected conditions were peak area measurement between 1005 and 995 cm−1 Raman shift, with a baseline correction fixed between 1030 and 947 cm−1, and…
Solid-phase FT-Raman determination of caffeine in energy drinks
2005
Abstract A solid-phase vibrational spectrometry-based methodology (solid-phase Fourier transform-Raman spectrometry, SP-FT-Raman) has been developed for caffeine determination in commercial energy drink samples. The Raman spectra of caffeine, fixed on a C18 solid phase packed into a glass tube of 5 mm i.d., was obtained directly between 3500 and 70 cm −1 . In order to quantify caffeine, Raman intensity between 573 and 542 cm −1 corrected using a baseline defined between 580 and 540 cm −1 was used. A repeatability of 3%, as relative standard deviation of five analysis of a 200 mg l −1 concentration, and a limit of detection of 18 mg l −1 were obtained. The SP-FT-Raman procedure provides a sa…
FT–Raman spectrometry determination of Malathion in pesticide formulations
2003
Abstract A fast and environmentally friendly method has been developed for Fourier transform–Raman (FT–Raman) spectrometry determination of Malathion in pesticide emulsifiable concentrate formulations. The method is based on the measurement of intensity peak height values at 1737 cm −1 Raman shift corrected using a baseline defined at 1900 cm −1 . Samples were diluted with CHCl 3 and the FT–Raman spectra collected in back-scattering mode over 3.3 min at a nominal resolution of 4 cm −1 accumulating 50 scans per spectra and using a laser power of 1250 mW. The developed procedure provided a limit of detection of 1.8% w/w in the original sample. Results found by FT–Raman spectrometry were stati…
High spatial resolution analysis of the iron oxidation state in silicate glasses using the electron probe
2018
The iron oxidation state in silicate melts is important for understanding their physical properties, although it is most often used to estimate the oxygen fugacity of magmatic systems. Often high spatial resolution analyses are required, yet the available techniques, such as μrXANES and μMössbauer, require synchrotron access. The flank method is an electron probe technique with the potential to measure Fe oxidation state at high spatial resolution but requires careful method development to reduce errors related to sample damage, especially for hydrous glasses. The intensity ratios derived from measurements on the flanks of FeLα and FeLβ X-rays (FeLβf/FeLαf) over a time interval (time-depend…
High-pressure crystal structure, lattice vibrations, and band structure of BiSbO4
2016
The high-pressure crystal structure, lattice-vibrations HP crystal structure, lattice vibrations, and band , and electronic band structure of BiSbO4 were studied by ab initio simulations. We also performed Raman spectroscopy, infrared spectroscopy, and diffuse-reflectance measurements, as well as synchrotron powder X-ray diffraction. High-pressure X-ray diffraction measurements show that the crystal structure of BiSbO4 remains stable up to at least 70 GPa, unlike other known MTO4-type ternary oxides. These experiments also give information on the pressure dependence of the unit-cell parameters. Calculations properly describe the crystal structure of BiSbO4 and the changes induced by pressur…
Ambient-temperature high-pressure-induced ferroelectric phase transition in CaMnTi2O6
2017
The ferroelectric to paraelectric phase transition of multiferroic ${\mathrm{CaMnTi}}_{2}{\mathrm{O}}_{6}$ has been investigated at high pressures and ambient temperature by second-harmonic generation (SHG), Raman spectroscopy, and powder and single-crystal x-ray diffraction. We have found that ${\mathrm{CaMnTi}}_{2}{\mathrm{O}}_{6}$ undergoes a pressure-induced structural phase transition ($P{4}_{2}mc\ensuremath{\rightarrow}P{4}_{2}/nmc$) at $\ensuremath{\sim}7\phantom{\rule{0.16em}{0ex}}\mathrm{GPa}$ to the same paraelectric structure found at ambient pressure and ${T}_{c}=630\phantom{\rule{0.16em}{0ex}}\mathrm{K}$. The continuous linear decrease of the SHG intensity that disappears at 7 …
Structural characterization of Nigerian coals by X-ray diffraction, Raman and FTIR spectroscopy
2010
Abstract The structural parameters of six Nigerian coals were determined by X-ray diffraction, Raman and FTIR spectroscopy. This study reveals that the coals contain crystalline carbon of turbostratic structure with some amount of highly disordered amorphous carbon. The average lateral sizes ( L a ), stacking heights ( L c ) and interlayer spacing ( d 002 ) of the crystallite structures calculated from the X-ray intensities range from 16.47 to 25.70, 8.12 to 13.25 and 3.48 to 3.58 A, respectively. The L a values derived from the Raman spectra analyses using the classical linear relationship between 1/ L a and the D/G band ratio are higher (27.53–34.67 A) than values obtained from X-ray diff…
Vibrational Properties of InSe under Pressure: Experiment and Theory
1996
The pressure dependence of the phonon modes in the layered semiconductor γ-InSe has been investigated experimentally and theoretically for pressures up to 11 GPa. The mode Gruneisen parameters of all Raman-active zone-center phonons have been determined by Raman scattering under pressure. In addition, features corresponding to second and third-order scattering processes are apparent in the Raman spectra under resonance conditions, from which information about zone-edge modes can be obtained. For the assignment of the observed Raman features to vibrational modes we have calculated the phonon dispersion curves using a rigid-ion model including couplings to first-nearest neighbors and long-ran…
Snapshots of a solid-state transformation: Coexistence of three phases trapped in one crystal
2016
Crystal-to-crystal transformations have been crucial in the understanding of solid-state processes, since these may be studied in detail by means of single crystal X-ray diffraction (SCXRD) techniques. The description of the mechanisms and potential intermediates of those processes remains very challenging. In fact, solid-state transient states have rarely been observed, at least to a sufficient level of detail. We have investigated the process of guest extrusion from the non-porous molecular material [Fe(bpp)(HL)](ClO)·1.5CHO (bpp = 2,6-bis(pyrazol-3-yl)pyridine; HL = 2,6-bis(5-(2-methoxyphenyl)-pyrazol-3-yl)pyridine; CHO = acetone), which occurs through ordered diffusion of acetone in a c…
Mechanism of pulsed electron irradiation of the PLZT X/65/35 ceramics
2005
The comprehensive study of high-current pulsed electron irradiation effect on the structure and lattice dynamics as well as Atomic Force (AFM) and Laser Confocal Scanning microscope (LSCM) surface imaginaries of PLZT 8/65/35 ceramics have been performed. X-ray powder diffraction studies show the transformation of the cubic perovskite Pm-3m (Z = 1) into orthorhombic Pmmm (Z = 1) structure for the sample irradiated by one pulse (dose 6 × 1014 electrons/cm2) and into cubic Pm-3m with increased lattice volume and more ordered structure at irradiating by 10 and 100 pulses (dose 6 × 1015 and 6 × 1016 el/cm2). A consequence, the changes of number, intensity and phonon modes position occur in Raman…