Search results for "Fourier transform spectroscopy"
showing 10 items of 79 documents
Fourier-transform spectroscopy and deperturbation analysis of the spin-orbit coupled A(1)Σ(+) and b(3)Π states of KRb.
2016
Fourier-transform A(1)Σ(+) - b(3)Π → X(1)Σ(+) laser-induced fluorescence spectra were recorded for the natural mixture of (39,41)K(85,87)Rb isotopologues produced in a heatpipe oven. Overall 4200 rovibronic term values of the spin-orbit coupled A(1)Σ(+) and b(3)Π states were determined with an uncertainty of about 0.01 cm(-1) in the energy range [10 850, 14 200] cm(-1) covering rotational quantum numbers J' ∈ [3, 280]. Direct deperturbation analysis of the A ∼ b complex performed within the framework of the A(1)Σ(+) ∼ b(3)ΠΩ=0,1,2 coupled-channel approach reproduced experimental data with a standard deviation of 0.004 cm(-1). Initial parameters of the internuclear potentials and spin-orbit …
Solid sampling Fourier transform infrared determination of Mancozeb in pesticide formulations
2004
Abstract A series of approaches have been assayed for FTIR determination of Mancozeb in several solid commercial fungicides using different calibration strategies. The simplest procedure was based on the use of the ratio between the absorbance of a characteristic band of Mancozeb and that of a KSCN internal standard measured in the FTIR spectra obtained from KBr pellets. It was employed the quotient between peak height absorbance values at 1525 cm−1 for Mancozeb and 2070 cm−1 for KSCN. In these conditions a precision as relative standard deviation (RSD) of 0.6% and a relative accuracy error of 0.8% (w/w) were found. For complex formulations, containing other compounds with characteristic ab…
Nutritional parameters of commercially available milk samples by FTIR and chemometric techniques
2004
Abstract A chemometric study on the prediction of the main nutritional aspects of milk has been carried out by using fourier transform infrared spectroscopy (FTIR) attenuated total reflectance (ATR) measurements of commercially available milk samples of different types. Whole, semi and skimmed milks, enriched or not with calcium, vitamins or modified by alteration of lipid or sugar composition were considered. After evaluating different strategies for data acquisition and ATR cleaning between samples, hierarchical cluster analysis (HCA) was carried out for classification of samples in order to choose the calibration set. The prediction capabilities of partial least squares (PLS) data treatm…
First signals of electrochemically oxidized species of TTF and TMT-TTF : a study by in situ spectroelectrochemical FTIR and DFT calculations
2003
A first study by in situ FTIR spectroelectrochemistry of TTF and TTM-TTF has been undertaken. The oxidation, in this case, is caused only by electrochemistry, which constitutes a clear advantage over chemical oxidation since no side products are present in the solution. In this context, we obtained the signals of neutral, radical cation, and dication species of TTF and TTM-TTF. The experimental conditions were chosen in order to avoid the possible formation of π-dimer species and to obtain a satisfactory signal-to-noise ratio. A weak signal was detected for TTF and a stronger one for TTM-TTF. The changes induced by the oxidation process in the IR spectra of TTF and TTM-TTF have been analyze…
Attenuated Total Reflection-Fourier transform infrared analysis of the fermentation process of pineapple
2005
Abstract A direct and reagent free procedure has been developed to monitor the fermentation process of pine apple nectar using Attenuated Total Reflectance Fourier-transform mid-infrared spectrometry (FT-IR) and multivariate analysis. A classical 4 2 design for standards was employed for calibration using the information in the spectral range from 907 to 1531 cm −1 of the first order derivative spectra after mean centering of infrared data. The root mean square error of calibration (RMSEC) of 0.040, 0.021, 0.063 and 0.074% w/w were obtained for glucose, fructose, saccharose and ethanol, respectively, and a mean relative validation error of 2.9, 2.1, 2.6 and 3.6% was achieved for glucose, fr…
Attenuated total reflectance infrared determination of sodium nitrilotriacetate in alkaline liquid detergents
2005
Abstract An attenuated total reflectance infrared (ATR–FTIR) method has been developed for the direct determination of the chelating agent sodium nitrilotriacetate (NTA) in high pH cleaning formulations. Aqueous samples and standards were placed directly on the diamond ATR cell without any pre-treatment and FTIR spectra were recorded between 4000 and 600 cm−1. Measurement conditions were evaluated. Results obtained for five different commercial formulations containing from 6.22 to 9.25% (w/w) of NTA were in good agreement with the manufacturer's declared content (differences between 3.2 and −3.7%). Recovery studies evidenced the accuracy of the developed method, having found values between …
Atomic layer deposition of polyimide thin films
2007
The atomic layer deposition (ALD) of different polyimide thin films has been studied. We have demonstrated self-limiting ALD deposition of PMDA–DAH, PMDA–EDA, PMDA–ODA and PMDA–PDA thin films at 160 °C. The maximum deposition rate of 5.8 A cycle−1 was obtained for the PMDA–DAH process. Although the deposition rate was high at 160 °C, a sudden decrease was observed when the temperature was increased. Regardless of the process studied, no film growth was obtained at 200 °C or above. Deposited polyimide films were analysed by FTIR, AFM and TOF-ERDA. According to the FTIR measurements, imide bonds were formed already in as-deposited films indicating polyimide formation without any additional th…
High-resolution Fourier transform infrared spectroscopy and analysis of the ν3 fundamental band of P4
1999
Abstract We present the first high-resolution infrared absorption study of the ν 3 fundamental of white phosphorus, P 4 . This spectrum has been analyzed using the STDS (Spherical Top Data System) software. The band center lies at 466.286 cm −1 . With the approximation ( Bζ ) 3 =− B 0 /2, we found that the ground-state bond length is r 0 =219.58 pm. This value is consistent with that of ab initio studies reported previously but significantly different from a value obtained from a Raman study.
Near-infrared diffuse reflectance spectroscopy and neural networks for measuring nutritional parameters in chocolate samples.
2007
Abstract A rapid and non-destructive method has been developed for the characterization of chocolate samples based on diffuse reflectance near-infrared Fourier transform spectroscopy (DRIFTS) and artificial neural networks (ANNs). This methodology provides a potentially useful alternative to time-consuming chemical methods of analysis. To assess its utility, 36 chocolate samples purchased from the Spanish market were analyzed for the determination of the main nutritional parameters like carbohydrates, fat, proteins, energetic value and cocoa content. Direct triplicate measurements of each sample were carried out by DRIFTS. Cluster hierarchical analysis was used for selecting calibration and…
Evaluation of nutritional parameters in infant formulas and powdered milk by Raman spectroscopy
2007
It has been made a critical evaluation of the application of near infrared Fourier transform-Raman spectroscopy for the simultaneous determination of the most important nutritional parameters such as energetic value, carbohydrate, protein and fat contents of infant formula and powdered milk samples based on the use of partial least squares (PLS) regression analysis. A highly heterogeneous population of 23 samples, covering a wide range of infant food formula and powdered milk, were obtained from the Spanish market. Raman spectra, obtained by excitation with a Nd:YAG laser at 1064 nm, show no disturbing fluorescence effects; therefore sample spectra can be recorded without any previous prepa…