A conformational study on some thiobenzophenones. Molecular orbital calculations.

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概要

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• MO calculations were performed on the different conformers of thiobenzophenone and on the planar conformer of a number of its derivatives using the INDO-CI procedures. A nonplanar conformer with an angle of 15° between the planes of benzene rings was predicted for thiobenzophenone. Dipole moment and charge density were calculated and correlated to the reactivity of the studied molecules. A Gaussian analysis was performed on the spectra of the studied compounds, results compared satisfactorily with the results of MO calculations.

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著者

• Abu-eittah Rafie

  Department Of Chemistry Faculty Of Science University Of Cairo

• Abu-Eittah Rafie

  Department of Chemistry, Faculty of Science, King Abdulaziz University

• El-Kourashy Abdel-Ghany

  Department of Chemistry, Faculty of Applied Sciences and Engineering, Umm Al-Qura University

関連論文

• Electronic Absorption Spectra of Some 1,4-Benzoquinone Diazides. A Molecular-Orbital Treatment
• A conformational study on some thiobenzophenones. Molecular orbital calculations.

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