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1999 (1)
1Author    Miki Hasegawa, Yasunori Yamada+, Ken-Ichi Kumagai, Toshihiko HoshiRequires cookie*
 Title    Electronic Structure of 2,6-Bis{./V-(2-hydroxyphenyl)immoinethyl}-4-methylphenol  
 Abstract    The electronic and molecular structure of 2,6-bis{/V-(2-hydroxyphenyl)iminomethyl}-4-methylphenol (hpimp) is clarified from the m easurements of electronic absorption and 'H NMR spectra in various solvents and an X-ray diffraction analysis, together with MO calcula­ tions. Electronic absorption bands of hpimp are at 422, 397.9, 359, 341, 294.3, 265.8, and 224 nm in the non-polar solvent cyclohexane. In polar solvents, such as methanol, an additional band which is assigned to a partly formed keto-am ine hpimp, is observed at 499 nm. From the ]H NM R spectra it is seen that hpimp exists in the enol-imine form in non-polar solvents, and as an equilibrium mixture of enol-imine and keto-amine forms in polar solvents. Each electronic absorption band of solid hpimp in a KBr disk is broadened compared with the solution state, and an additional band, again assigned to the keto-amine form, appears around 499 nm. A n X-ray diffraction analysis shows that hpimp assumes a keto-amine structure in the solid state, and forms a column structure along the c-axis. MO calculations suggest that the enol-imine hpimp has a twist structure around the two C -C single bonds, the twist angle being 100° to 120°. 
  Reference    Z. Naturforsch. 54b, 929—9 (1999); received January 8 1999 
  Published    1999 
  Keywords    Schiff Base, Electronic Structure Polarization Spectrum, X-Ray Data, MO Calculation 
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 TEI-XML for    default:Reihe_B/54/ZNB-1999-54b-0929.pdf 
 Identifier    ZNB-1999-54b-0929 
 Volume    54