Structures and Fragmentations of Protonated Benzene and Its Derivatives. I.
スポンサーリンク
概要
- 論文の詳細を見る
Using STO-3G geometry optimization was carried out on the benzenium ion and p- and F-protonated fluorobenzenes. Electronic structures, geometries, and heats of formation of protonated phenol, toluene, aniline, benzaldehyde, benzonitrile, fluorobenzene, and chlorobenzene were obtained by MINDO/3 and compared in an attempt to explain absense of C6H5+ ion in chemical ionization mass spectra of benzaldehyde and benzonitrile. The unstability of N-protonated aniline has been interpreted in terms of breakage of the conjugation between lone pair electrons and π-electrons.
- 日本質量分析学会の論文
著者
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ICHIKAWA Hiroshi
Hoshi College of Pharmacy
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Nakajima Yukiko
Hoshi College of Pharmacy
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Harrison Alex
Department of Chemistry, University of Toronto
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Ichikawa Hiroshi
Hoshi College Of Phamacy
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