Calculation of Siegert eigenvalues for molecular systems: results for He(21,3S)+ H

The variational calculation of Siegert eigenvalues has previously been shown to provide reliable positions and widths for atomic resonances. This approach is herein extended to molecular problems, and the first such calculations for a molecular autoionizing system, He(2^1,3S)+H→ He+H⁺+e^?, are reported.     

Photoreaktionen kleiner organischer Moleküle. 4. Mitt. Absorptions-spektren,Photoionen- und Resonanzphotoelektronenspektren von Vinylbromid.

Ohne Zusammenfassung     

Alumina-catalyzed condensation of 2-methylquinoline with methanol

The alumina-catalyzed reaction of 2-methylquinoline with excess methanol at 500° produced a mixture of 2-ethyl-, 2-isopropyl-, and 2-isopropenylquinolines in yields of 10%, 7%, and 2%, respectively. A mechanistic interpretation of this reaction is presented.     

Intermediates of radiation-induced polymerisation of maleimides studied by ESR

Radicals produced by radiolysis and photolysis of maleimides (maleimide, N-methylmaleimide, N-ethylmaleimide, N-phenyl-maleimide) in bulk have been identified by ESR spectroscopy. γ-Irradiation of maleimides yields up to five different radicals depending on the type of maleimide. Because of the great linewidth of powder ESR spectra, the hyperfine splittings are determined by means of computer simulation. For N-alkyl maleimides the starting species of polymerisation are formed by abstraction of a H-atom from the alkyl group in radiolysis as well as in photolysis. The structure of the propagating radical shows that polymerisation proceeds via the ethylenic double bond. The detection of maleimide ions makes participation of these ions in polymerisation conceivable. Radiolysis of maleimide and N-phenylmaleimide yields the same type of radicals whereas only ions could be detected after u.v.-irradiation.     

Substituted propanes: V. The vibrational spectra,dipole moments and conformations of 1,2-dichloro-, 1-chloro-2-bromo- and 1,2-dibromopropane

The infrared and Raman spectra of 1,2-dichloro-, 1-chloro-2-bromo- and 1,2-dibromopropane were recorded as liquids, in polar and non-polar solvents and in the crystalline state at low temperatures. The infrared spectrum of a high pressure crystal of 1,2-dibromopropane was recorded at ambient temperature. Dipole measurements were carried out in CCl₄ and C₆H₆solutions.Each of the 1,2-dihalopropanes existed as a mixture of three conformers in the liquid state, the one with the halogens in the anti position was in large abundance. Spectral and dipole measurements revealed a comparatively larger concentration of the two polar gauche conformers in polar solvents. All the compounds crystallized in the anti form. The C-halogen stretching vibrations have been interpreted in detail. Vibrational analyses of the anti conformers have been carried out and a tentative assignment of the majority of the gauche bands has been proposed.     

Magnetic resonance studies of the deuteration effect on intersystem crossing in the anthracene molecule

The intersystem crossing decay constants from the ³B_2u state into the ground state of anthracene-d₁₀ in a phenazine crystal have been determined by magnetic resonance techniques at 1.5°K both at high magnetic field and, by a parameterization procedure, at zero magnetic field. A comparison of the anthracene-d₁₀ zero-field results with those for anthracene-h₁₀ show the effects of deuterium substitution to be largest for the in-plane spin levels of the anthracene triplet state.