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Institute
Diffuse reflectance measurements and photon migration studies with near infrared (NIR) diode lasers were employed to elucidate experimental methods for determining absorption and scattering coefficients and species concentrations in highly scattering solutions. Applicability of theoretical approaches were established by investigating model systems with absorbing (e.g. ink, malachite green) and scattering (e.g. milk powder, caolinit) species in aqueous solution. While diffuse reflectance measurements practically requires calibration procedures, photon migration studies allow quantitative determination of absorption and scattering coefficients of turbid solutions consistent with absorptions coefficients obtained from Lambert-Beer's law. Furthermore, NIR absorption spectra of water, chlorinated hydrocarbons (chloroform, 1,2-dichloroethane, trichloroethene) and of various sugars ($alpha$-D-glucose, sucrose, maltose) are discussed. Spectral variations of NIR water absorption with temperature and solvents are exammined. Exemplary, NIR diode laser detection of water in acetone/water mixtures is performed.
In situ Laser-induced fluorescence (LIF) analysis pf petroleum product-contaminared soil samples
(2000)
On the basis of absorption measurements in the near-infrared (NIR) spectral range, a new method for the quantification of the ethanol content of beer is presented. Instead of the multivariate calibration models most commonly employed in NIR spectroscopic works, we use interpretive difference spectroscopy: Two wavelengths are selected according to the assignment of the absorption bands of the main substances of content of beer in the NIR region, and the difference between the absorbances at these wavelengths is used for ethanol quantification. Absorption spectra of the dominating beer ingredients are discussed and the calibration procedure with ethanol/water mixtures is shown. Robustness against the carbohydrate content of beer samples was demonstrated by analyzing solutions of ethanol and maltose in water. Validation of the method was performed with various beer samples with an ethanol concentration range between 0.5 and 7.7 vol %. The pertinent advantage of the procedure developed in this work is the indication that the results are independent from seasonal variations of the ingredients, which is of high interest for products with natural ingredients such as beer
Deuteration effects on the vibronic structure of the emission and excitation spectra of triangular [ 4] phenylene (D-3h [4]phenylene) were studied using laser-excited Shpol'skii spectroscopy (LESS) in an octane matrix at 4.2 K. For correct assignment of the vibrational modes, the experimental results were compared with calculated frequencies (B3LYP/6-31G*). CH vibrations were identified by their characteristic isotopic shifts in the spectra of deuterated triangular [4]phenylenes. Two CC stretching modes, at 100 cm(-1) and 1176 cm(-1), suitable as probes for bond strength changes in the excited state, were identified. The isotope effect on the internal conversion rates of triangular [4] phenylene was evaluated from measurements of temperature dependent lifetime. Isotope dependency and the magnitude of the internal conversion rates indicate that internal conversion in triangular [4] phenylene is most likely induced by CH vibrations. The results obtained by LESS and lifetime measurements were compared with PM3 PECI calculations of the excited state structure. The theoretical results and the relation between ground and excited state vibration energies of the 1176 cm(-1) probe vibration indicate a reduction of bond alternation of the central cyclohexatriene ring in the excited state