Photoelectron Spectroscopic Study of Skew Compounds. III. <I>N</I>,<I>N</I>′-Dimethylhydrazine, Dimethyl Peroxide, and Dimethyl Disulfide
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概要
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He I photoelectron spectra of CH<SUB>3</SUB>HNNHCH<SUB>3</SUB>, (CH<SUB>3</SUB>)<SUB>2</SUB>O<SUB>2</SUB>, and (CH<SUB>3</SUB>)<SUB>2</SUB>S<SUB>2</SUB> have been measured and the spectra below 18 eV have been resolved into nine ionization bands corresponding to p-type localized molecular orbitals. Orbital assignments of the resulting vertical ionization energies have been carried out with CNDO/2 calculations in which orbital energies were calculated as a function of the dihedral angle in the region 0–180°. The separation of the nonbonding photoelectron bands suggests that CH<SUB>3</SUB>HNNHCH<SUB>3</SUB> exists in outer-inner skew form, whereas (CH<SUB>3</SUB>)<SUB>2</SUB>O<SUB>2</SUB> is in <I>trans</I> form. The sum rule consideration previously proposed by the present authors has been applied to the compounds studied here. The total sum of the vertical ionization energies in the p-type region for each compound has been well reproduced in terms of appropriate empirical parameters based on the photoelectron spectra of simple molecules. The effects of methyl substitution on the ionization-energy total sums for N<SUB>2</SUB>H<SUB>4</SUB>, H<SUB>2</SUB>O<SUB>2</SUB>, and H<SUB>2</SUB>S<SUB>2</SUB> have been found to be very similar to those for ethane and ethylene.
- 公益社団法人 日本化学会の論文
著者
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Kimura Katsumi
Physical Chemistry Laboratory Institute Of Applied Electricity Hokkaido University
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Osafune Kazuteru
Physical Chemistry Laboratory, Institute of Applied Electricity, Hokkaido University
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