Abstract
A theoretical study was made on the energies of ${\pi}$ electrons and the reactivity of each atom of porphin nucleus and phthalocyanine nucleus in the ground states. The energy of each ${\pi}$ orbital, the superdelocalizabilities and the bond orders have been calculated by the simple Huckel method. With respect of these two compounds, results of the calculations have shown that the energy differences between highest occupied orbitals and lowest vacant orbitals are relatively less than those of other common organic compounds. This suggests that these two compounds will be easily excited. Then, by superdelocalizabilities and bond orders, the reactivities of electrophilic, nucleophilic and radical reactions and bond strenghs have been respectively considered.
基底狀態의 Porphin 核과 Phthalocyanine 核의 電子狀態와 反應性을 理論的으로 考察하였다. 이때 各 ${\pi}$軌道의 energy量과 superdelocalizability 및 結合次數(bond order)는 單純分子軌道法에 依據해서 算出하였다. 이 두 化合物의 경우, 最高被占軌道와 最底空軌道 사이의 energy 差가 一般的인 다른 有機化合物보다 상당히 적었는데, 이것은 곧 이 두 化合物이 勵起되기 쉬운 狀態에 놓여 있음을 뜻한다. 또한 superdelocalizability와 結合次數로서 이 두 化合物의 各 原子位置에서의 親電子的, 親核的 및 radical 反應의 反應性과 結合强度를 各各 決定하였다.