An Interpretation of Mass Spectra of Disubstituted Benzenes by Simple LCAO MO Calculation. I

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概要

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• A part of the mass spectra for derivatives of aniline and anisole was interpreted using the results of MO calculation. Compounds studied were: aniline derivatives: <I>o</I>-, <I>m</I>-, and <I>p</I>-compounds of anisidine, aminophenol, chloroaniline, nitroaniline, aminobenzoic acid, and aminoaeetophenone; and anisole derivatives: <I>o</I>-, <I>m</I>-, and <I>p</I>-compounds of anisidine, methoxyphenol, chloroanisole, nitroanisole, methoxyben zoic acid, and methoxybenzaldehyde. The intensities of certain fragment ions in the mass spectra of these compounds were compared with the results of simple LCAO MO calculation for these compounds. A simple relation was found between the intensity and the partial bond order for a frontier electron of the bond ruptured.

• 公益社団法人 日本化学会の論文

著者

• Tsuchiya Toshikazu

  Government Chemical Industrial Research Institute

• Tajima Susumu

  Government Chemical Industrial Research Institute, Tokyo

• Tsuchiya Toshikazu

  Government Chemical Industrial Research Institute, Tokyo

• Wasada Nobuhide

  Government Chemical Industrial Research Institute, Tokyo

関連論文

• The Effect of the Shield Voltage on Appearance Potential Measurements Using a Mass Spectrometer
• An Interpretation of Mass Spectra of Disubstituted Benzenes by Simple LCAO MO Calculation. I
• An Interpretation of Mass Spectra by Simple LCAO MO Calculation. II. Derivatives of Benzene and Chlorobenzene

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