Core ionization of nitrosobenzene-dimer compounds: phenazon-di-N-oxide
Abstract The C 1s, N 1s and O 1s XPS spectra of soli d phenazon-di-N-oxide (PADNO) are presented in order to further elucidate the effects of intermolecular interactions in molecular solids on the dynamics of the core-ionization process. PADNO can be considered a model compound for an intramolecular cis nitrosobenzene dimer. The observed strong N 1s and O 1s shake-up intensity attenuations in going from the nitrosobenzene monomer to PADNO are discussed in detail based on the results of CNDO/S CI equivalent core calculations. The theoretical core-hole spectral functions are in excellent agreement with experiment. It is shown that the calculated shake-up intensities are strongly on electron correlation.
X-Ray photoelectron spectroscopy of nitroso compounds: relative ionicity of the closed and open forms
Etude de plusieurs composes nitroso dimeres («ouvert» et «ferme») par spectrometrie photoelectronique de rayons X. Comparaison d'un calcul de charge-potentiel par la methode CNDO/2 et d'un calcul de «chaleur de formation» par la methode MINDO/3 avec les deplacements observes
Optical rotatory dispersion and absolute configuration—III
Abstract Optical rotatory dispersion measurements on pyrrolidine, piperidine, and tetrahydro-isoquinoline alkaloids indicate that the absolute configuration of the α-asymmetric center may be assigned directly from the dispersion curve, provided either that the nitrogen atom is not protonated, or that the compound contains a chromophore absorbing above 200 mμ.