Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
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Determination of Reactivities by MO (ⅩⅦ). Theoretical Studies on Phenolic Antioxidants

MO 이론에 의한 반응성의 결정 (제17보). 페놀계 산화방지제에 관한 이론적 연구

  • Published : 1980.10.30
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Abstract

Radical formation reaction of phenolic antioxidants were examined MO theoretically. Results show that substitution of electron-donating alkyl groups in phenol increases the rate of phenoxy radical formation when attacked by an electrophilic radical by stabilization of cationic transition state.

페놀계 산화방지제들의 라디칼 생성반응을 분자궤도론적으로 고찰하였다. 결과로 페놀계 산화방지제는 전자공여성인 알킬기의 치환으로 phenoxy 라디칼 생성이 용이해지며, 따라서 산화방지 능력이 증가함을 알았다. 이것은 electrophilic 라디칼의 작용으로 형성되는 양이온을 안정화시켜 주기 때문임을 밝혔다

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