The influence of hydrogen bonding and intramolecular rotation on the O-H bond dissociation energy(BD

来源 :The 7th Sino-US Conference of Chemical Engineering(第7届中美化学工程 | 被引量 : 0次 | 上传用户：flyfish11111

【摘要】

：

【作者】

：

Shuo Su Jun Long Qinghua Duan Han Zhou Zhiqiang Wu Yi Zhao

【机构】

：

Research Institute of Petroleum Processing,Beijing,P.R.China,100083

【出处】

：

The 7th Sino-US Conference of Chemical Engineering(第7届中美化学工程

【发表日期】

：

2013年11期

【关键词】

：

sulfur-containing hindered phenols DFT bond dissociation energy intramolecular h

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　　We present a detailed investigation on the antioxidant activity of sulfur-containing hindered phenols (SHP) by using pressurized differential scanning calorimeter (PDSC),and their bond dissociation energy and frequency of vibration through quantum chemistry calculation based on density functional theory (DFT).

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The influence of hydrogen bonding and intramolecular rotation on the O-H bond dissociation energy(BD

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