Solvent effects on the n.PI.* and .PI..PI.* absorption intensities of some organic molecules.

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概要

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• Recently proposed experimental and theoretical expressions for the molecular electronic oscillator strength in a solution (<I>J. Chem. Phys.</I>, <B>83</B>, 1546 (1985)) have been succesfully applied to the spectral data of some nonpolar and polar organic molecules (benzoquinones, ketones, nitroalkanes, β-carotene, and substituted benzenes). In an application of the theoretical expression, the transition moment of a nonpolar solute molecule in various solvents was assumed to be approximately constant, while that of a polar solute molecule was developed on the assumptions of a first-order perturbation of the wave function and a Block–Walker reaction field. The ratio of the oscillator strength in a solution to that either in a vapor or a specified solvent was computed from both experimental data and theoretically from the transition moments. The results of the two computational modes are, generally, in good agreement for the range of compounds studied.

• 公益社団法人 日本化学会の論文

著者

• Abe Takehiro

  College of General Education, Tohoku University

• Iweibo Idowu

  College of General Education, Tohoku University

関連論文

• Blue-colored Matter Appearing in an Alkaline Solution of Benzoin and Benzil in Aqueous Dimethyl Sulfoxide
• An anion radical precursor in the nucleophilic substitution of o-dinitrobenzene.
• An anion radical precursor in the nucleophilic substitution of p-dinitrobenzene.
• Solvent effects on the n.PI.* and .PI..PI.* absorption intensities of some organic molecules.
• Comparison of the excited-state dipole moments and polarizabilities estimated from solvent spectral shifts with those from electrooptical measurements.

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