結合能率に關する量子力學的計算 : 極性置換基の吸收スペクトル强度に及ぼす影響

Abstract

The author calculated the exchange electric moments of keton and benzen derivatives by the Linear Combination of Atomic Orbital Method. In the case of keton derivatives, the frequencies increase in proportion to the electronegativities of substituents, but the intensities are independent. In the case of benzen derivatives, the frequencies ν decrease in proportion to the electronegativities ⊿ε as follows, ν (1013sec-1)=120-55.⊿ε(e.u.) And the intensities decrease in proportion to the frequencies as follows, log εmax=14.0-0.1ν These results are compared with the observed values.