황의 친핵치환 반응(제 5 보). 각종 Sulfonyl Chloride 에 대한 EHT계산

The extended Huckel calculations have been conducted on sulfonyl chlorides $ RSO_2Cl,\;R=C6H_5-,\;CH3-,\;OCH3-$. Results are discussed using ground state electronic structures. $S_N$ reactivity has been discussed using calculated reactivity indices. Particularly, which the substitution of chlorine is take placed or not on $ROSO_2Cl$ in which is suggested by Buncel et al., is discussed by means of some basis on the MO theoretical ground. Sulfonyl chloride $ RSO_2Cl,\;R=C6H_5-,\;CH3-,\;OCH3-$ 및 $(CH_3)_2N-$에 대하여 EHT계산을 하였으며 바닥상태의 전자구조 특성과 $S_N$반응성을 논의하였다. 특히 $R=OCH_3$의 경우 Buncel이 제안한 Cl에서의 치환가능성을 검토하였다.