Spektroskopische und theoretische Untersuchungen am Borazolmolekül und seinen Bortrihalogenoderivaten

Zusammenfassung Es werden Hückel-MO-Rechnungen am Borazol und den B-Trihalogenoborazolen durchgeführt und die entsprechenden Parameter an den teils bekannten und teils gemessenen UV-Spektren geeicht. Die für diese Verbindungen bestimmten chemischen Verschiebungen der ¹¹B- und ¹⁴N-Kernresonanz lassen sich mit den berechneten -Elektronendichten erklären.

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Hückel-MO calculations are performed for Borazine and the B-Trihalogenoborazines; the parameters used are calibrated with the UV-spectra, which had either been measured here or obtained from the literature. The calculated -electron densities compare favorably well with the ¹¹B- and ¹⁴N-nuclear magnetic resonances determined for the above mentioned compounds.

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Résumé Le borazole et les B-trihalogenoborazoles sont calculés par la méthode de Hückel en utilisant des paramètres calibrés sur les spectres U.V. mesurés ou obtenus dans la littérature. Les densités électroniques sont en bon accord avec le déplacement chimique de N.M.R. de ¹¹B et ¹⁴N déterminé pour les composés cidessus.

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Herrn Professor Dr. H. Hartmann danken wir für sein stetes Interesse und die wohlwollende Förderung dieser Arbeit. Für die Hilfe bei der Aufnahme des Vakuum-UV-Spektrums von Fluoroborazol danken wir Herrn Diplom-Physiker E. Mohler.     

Der Stoffwechsel von Verbindungen mit Dreifachbindung. VI. Stoffwechselverhalten von Alkincarbonsäuren und Alkindicarbonsäuren

Metabolism of Acetylenic Monocarboxylic and Dicarboxylic Acids Feeding of acetylenic monoacids with chain length of 11 to 18 C-atoms to rats led to excretion of dicarboxylic acids with retained triple bonds. 10-Octadecynoic acid led to the formation of metabolites with even and odd number of C-atoms, suggesting in addition to established ω- and β-oxidation an α-oxidative pathway.     

A novel MCR of isocyanates, aldehydes, and dienophiles

[reaction: see text] A novel one-pot procedure for the three-component coupling reaction of isocyanates, aldehydes, and dienophiles (IAD reaction) has been developed. Condensation of isocyanates and aldehydes and subsequent Diels-Alder reactions with electron-deficient dienophiles furnishes endo-selective amino-substituted cyclohexenes in good yield.     

Equational partiality

A special kind of partiality of heterogeneous algebraic structures is introduced. Every operator of a heterogeneous operator domain is associated with a set of term equations as necessary and sufficient domain condition.It is shown that some kind of hierarchy condition for the system of domain equations is equivalent to the condition that every injective weak homomorphism is a strong homomorphism which is equivalent to the statement that every bijective weak homomorphism is an isomorphism.On the base of this result the notions of a quasi-variety and of a variety of equationally partial heterogeneous algebras are suggested. The class of all small categories becomes a standard example of a variety of equational partial heterogeneous algebras.Presented by V. Trnková.     

Analysis of dinitro- and amino-nitro-toluenesulfonic acids in groundwater by solid-phase extraction and liquid chromatography–mass spectrometry

A reversed-phase LC–MS method with quadrupole-time of flight (QTOF) detection has been developed for the determination of four dinitro-toluenesulfonic acids and two amino-nitro-toluenesulfonic acids in groundwater. The analytes were separated by HPLC with 0.1% (v/v) formic acid as mobile phase modifier compatible with mass spectrometric detection. QTOF-MS analysis with negative ion electrospray ionization afforded good selectivity and sensitivity for analysis of the dinitro- and amino-nitro-toluenesulfonic acids. Structure elucidation and confirmation were accomplished by tandem mass spectrometry. Characteristic ions resulting from the loss of NO, NO₂, and SO₂ from the [M–H]^– ions were detected. An intense fragment ion at m/z 80 representing the [SO₃]^– ion was detected for all dinitro- and amino-nitro-toluenesulfonic acids. Solid-phase extraction using a co-polymer cartridge was developed for preconcentration of the analytes from water. Good recovery (>85%) was achieved when 0.1% formic acid was added into the water samples before extraction. Method detection limits ranged from 10 to 76 ng L^–1 for the targeted compounds when 10 mL water was analyzed. Groundwater samples collected from wells close to a former ammunition plant in Stadtallendorf, Germany, were analyzed for the dinitro- and amino-nitro-toluenesulfonic acids.     

Cyclocopolymerization of dicyclic dienes and maleic anhydride to fused ring systems

The cyclocopolymerization of maleic anhydride and four 1,5- and 1,6-dienes (bicyclopentene, bicyclohexene, dicyclopentenyl ether, and dicyclohexenyl ether) and one tetraene (quartercyclopentene) is described. Soluble, low molecular weight copolymers were obtained from all five compounds. Their compositions approach 2:1 copolymer ratios. Fused ring structures are proposed as the main repeating units. Among the compounds listed, bicyclopentene copolymerized most easily and gave good conversions for monomer ratios of 2:1. Quartercyclopentene and dicyclopentyl ether, the other five-membered ring compounds, also polymerized to good-to-fair yields. However, a monomer ratio of about 4:1 was required to obtain conversions comparable to a 2:1 maleic anhydride—bicyclopentene polymerization. The six-membered systems, bicyclopentene and dicyclopentenyl ether, gave consistently low conversions, even with a 4:1 monomer ratio. The influence of the initiator system, initiator concentration, and reaction medium was studied on copolymerizations of bicyclopentene. Best results were obtained in acetic anhydride with azobisisobutyronitrile as the initiator.     

All massless,scalar fields with trivialS-matrix are wick-polynomials

We extend a result about non-interacting fields given by Buchholz and Fredenhagen. Consider a massless, scalar field ø in 3 + 1 dimensional space-time which does not interact. The corresponding Hilbert space is assumed to be the FockspaceH of the free massless fieldA. This implies — as we show in the first part — that alln-point-functions are rational functions of their arguments. In the second part we use this fact to construct a symmetric, traceless tensorfield ^1...n, relatively local to the original field ø, and connecting the vacuum with the one particle states. In the last part we prove ^1...n to be relatively local to the free fieldA.