The potassium pentafluorophenylfluoroborates were prepared by hydroxy-fluoride-substitution of fluoroorganoalkoxyboranes and -borates with potassium bifluoride. Those intermediate boranes and borates were obtained by the reaction of fluoroorganomagnesium reagents and alkoxyboranes. The introduction of one or two pentafluorophenylgroups into various alkoxyboranes is investigated to optimize the yield of potassium pentafluorophenyltrifluoroborate and bis(pentafluorophenyl)difluoroborate. Reactions of pentafluorophenylfluoroborates with the Lewis acids borontrifluoride and tris(pentafluorophenyl)borane show the Lewis acidity of pentafluorophenyldifluoroborane compared with borontrifluoride and tris(pentafluorophenyl)borane. Pentalfuorophenylfluoroborate salts reacted with iodinepentafluoride by transfer of a pentafluorophenylgroup to iodinepentafluoride. To develop an alternative method to fluorooganofluoroborates systematic investigations on the reactivity of fluoroorganoboranes to fluorides were undertaken. Potassium-1H,1H,2H,2H-perfluorooctyltrifluoroborate is prepared by the reaction of an organogrignard reagent with chlorodimethoxyborane and hydrolysis and hydoxy-fluoride-substitution of the product. Treatment of the borate wit borontrifluoride provides the corresponding difluoroborane with ponytailgroup.

The protein Myoglobin was used as matix-molecule to produce monomeric porphyrins in solution. The protein complexes of differen zinc pheophorbides and zinc protoporphyrin have been studied by UV/Vis and NMR spectroscopy. The protein stability versus unfolding and NMR results Based on quantum mechanical calculations analysis of EPR- and ENDOR-spectra of the light excited triplet state yielded identification of α-protons and methyl β-protons have been identified for the first time. The data acquired agrees well with previously published data on native reaction centers. The terminal electron acceptors, [4Fe4S] centers FA and FB in Photosystem I (PSI), have been modelled by peptides with 16 amino acid length synthezied by SPPS Fmoc strategy. Both peptides incorporated a [4Fe4S] cluster in oxidation state 2 /1 as prooven by UV/Vis, EPR and Mössbauer spectroscopy. The redoxpotential for the one electron reduction was found to be -470 mV for both modell peptides.

In most cases chemometric methods (PCA, PCR, PLS) are used for data modelling when NIR-spectrometry is applied for analytical purposes. This work is about the application of the wavelet-transform as a tool in chemometrics for analysing NIR-spectra. Beside aspects of data pretreatment, like smoothing of NIR-spectra, and data compression the focus was set on NIR-analysis using wavelet-transformed NIR-spectra. A new method for building multivariate calibration models based on wavelet-coefficients selected by a genetic algorithm is introduced. In addition the results obtained by calibrating wavelet-coefficients using PCR and PLS are descriped. Furthermore the identification of post consumer plastic waste by wavelet-transformed NIR-spectra and an artificial neural network is demonstrated. Two new special types of wavelets which allow analysing finitely extended signals (like spectra) without introducing artifacts near the boundaries were applied

Temperature dependent swelling of different polymer networks was performed in the liquid and gaseous solvent water. To determine the swelling ratio in the water vapour gravimetrically, depending on the change of temperature, a new measure device was developed. Object of this thesis was, to qualify the shape of the swelling curves in the region of the boiling point. Swelling curves were analysed with the results of the statistic theory of swelling additionally. Together with the results of measurements of the same polymer networks in crystalline water, a mathematical description of the swelling curves was performed in solid, liquid and gaseous phase for the first time.

Two new optical analysis methods in the field of nanotechnology are introduced. Both methods are based on optical microscopy coupled with a digital image analysis system. The first method can be used as a low cost quality control process for nanoimprint lithography. Here, fluorescence microscopy is used in combination with a standard printable polymer labeled with a fluorescent dye. The optical detection allows for the observation of imprinted structures down to 100 nm of lateral size. The second method uses either dark field or fluorescence microscopy for analysis of the particle size distribution of dispersed nanoparticles with diameters between 100 and 1000 nm. Both methods are characterized by a high reliability and reproducibility as well as user-friendliness and quickness.

The present study is a contribution to the synthesis and extensive characterization of fundamental C, F, O containing compounds, which play an important role in the chemistry of the atmosphere due to their appearance in degradation processes of CFCs and their substitutes. The formation of the peroxy radicals CF3OO, FC(O)OO, CF3OC(O)OO, CF3C(O)OO, and CH3C(O)OO is achieved by low pressure thermolysis of suitable precursors, highly diluted in argon or neon and subsequent quenching of the reaction mixture as a matrix. In addition, the radicals CF3OCO, SF5, and CF3OOO are formed in matrix. All investigated radicals are characterized as matrix isolated species by IR- and UV-spectroscopy. The properties of the studied fluorocarbon peroxy radicals are comprehensively discussed. The first preparation of pure trifluoromethyl nitrate, CF3ONO2, is reported via different synthetic routes. The compound is completely characterized (IR, Raman, UV, NMR, melting and boiling point, vapour pressure, gas electron diffraction), a nd its chemistry is evaluated. It is demonstrated, that trifluoromethyl nitrate acts neither for CF3O radicals, nor for nitrogen dioxide as a reservoir species. With the synthesis of bistrifluoromethyl trioxydicarbonate, CF3OC(O)OO-OC(O)OCF3, a novel open-chain trioxide is obtained, which is thermally stable below -20°C. CF3OC(O)OOOC(O)OCF3 is characterized by IR, Raman, UV, NMR spectroscopy and is used in the generation of the previously unknown peroxy radical CF3OC(O)OO. For all investigated species quantum chemical calculations are performed. The consistent use of the density functional method B3LYP with the basis set 6-311G(d,p) allows a comprehensive theoretical study. In addition, band assignments of the spectra of the characterized compounds were supported by these calculations.

This work at hand deals with two monosaccharides, beta-D-mannuronic acid (M) and alpha-L-guluronic acid (G), units of bacterial and algal alginates. Bacterial alginates are metabolic products of particular species of bacteria. They are thought to be the main structural components of biofilms, and play an important role in water technology. Water-soluble alginates chains build a 3-dimensional network with calcium ions. The goal of this work was to understand how the monomers of bacterial alginate interact with calcium ions to build this network. This was examined with theoretical models, i. e. forcefield calculations with molecular dynamics simulations

The visual pigment of vertebrates (rhodopsin), a member of the large class of G-protein-coupled receptors, and the photosynthetic pigment bacteriorhodopsin of halobacterium salinarum, an active pump, contain retinal as prosthetic group. The replacement of the native retinal by analogue chromophores helps to understand the molecular function of the light sensitive ligands. In order to study the intermolecular interaction between chromophore and protein three retinal derivatives were synthesized and incoporated (9-desmethylretinal, 9-ethylretinal and 9-isopropylretinal) which together with the native chromophore constitute a homologous series with systematically changed size of the substituent at position 9. In addition three analogue retinals with modification at position 10 and/or 13 (10-methylretinal, 13-demethylretinal and 10-methyl-13-demethylretinal) were also synthesized and studied particulary to understand the intramolecular interaction of the chromophore of rhodopsin.

This paper deals with the possibilities of using spark emission spectrometry to determine nitrogen contents in low-alloy steels. Several spectrometers, whose installation sites include two automatic laboratories at Thyssen Krupp Stahl AG in Duisburg, were used to carry out the practical work. Once the appropriate analysis line had been selected and the excitation conditions had been optimised, calibrations were carried out and spectral intereferences and analytic performance data were determined. Finally, the analysis results obtained from the production samples during manual and automatic operation were compared using the carrier gas hot extraction method, which is the standard reference method. Single spark spectrometry forms another focus. This makes it possible to register and evaluate the intensities of every single spark transfer. It also enables information to be obtained concerning the qualitative and quantitative composition of inclusions in steel, e.g. nitrides. The decomposition behaviour of inclus ons over time was analysed by spark discharges with the help of both SEM-EDX and single spark spectrometry.

<br>A recently developed two-stage Atomizer of I. L. Grinshtein was studied. His advantages and disadvantages were discussed. An attempt of the generalization of rapid chromatographical and non chromatographical fractionation of trace elements and sample matrix was carried out for ETAAS successfully. An Electrothermal Flow Fractionation Interface (EFFI) was designed as a development of the ETAAS analysis in order to allow sample preparation and measurement within the ETV system in a carrier gas. All main qualities of the new concept were studied both in theory and practically and compared with results of the conventional techniques as well as with the results of the Grinshtein Atomizer by conventional operation. A new transversally heated graphite atomizer was developed under conditions, that: 1) the lacks of the Grinshtein Atomizer are completely eliminated. 2) his construction is completely compatible to the commercial usual ones and considerably easier than ones of the commercial transversally heated graphite atomizers. 3) all functions of the usual operations such as stages of sample pyrolysis, sample atomization and cleaning of the Atomizer are supported. 4) fractionation of trace elements and sample matrix only due to the atomization process exceed in quality the properties of the usual atomizer operation (see point 3 above). Other numerous improvements of the ETAAS analysis were achieved to. For the first time in the ETAAS history undiluted and concentrated urine was analyzed even without pyrolysis and application of chemical modifiers.