从无键共振看气相中醇的酸性顺序 The Acidity Sequence of Alcohols in Vapor Phase in Terms of No-bond Resonance期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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从无键共振看气相中醇的酸性顺序

摘要：	通过比较C—O单键和CO双键的键能,预测醇的共轭碱很容易通过无键共振形成CO双键。由于C—C键能远小于C—H键能,所以甲基比氢原子更容易通过形成无键共振来稳定烷氧基负离子,由此导致气相中的酸性顺序为:(CH3)3COH(CH3)2CHOHCH3CH2OHCH3OH。这个观点得到了量子化学计算的支持。
关键词：	键能无键共振醇酸性顺序
The Acidity Sequence of Alcohols in Vapor Phase in Terms of No-bond Resonance

Authors:	Wang Wenfeng Yuan Yaofeng

Institution:	College of Chemistry, Fuzhou University, Fuzhou 350108, Fujian, China

Abstract:	By comparing bond energies of C—O single bond and C=O double bond, it can be predicted that the conjugate bases of alcohols are able to form C=O double bond via no-bond resonance. Since the bond energy of C—C single bond is much lower than that of the C—H single bond, methyl group is easier to stabilize alkoxide ions via no-bond resonance compared with H atom, the acidity sequence of alcohols in vapor phase is: (CH₃)₃COH >(CH₃)₂CHOH >CH₃CH₂OH >CH₃OH. This viewpoint has been supported by the result of quantum chemistry calculation.

Keywords:	Bond energy No-bond resonance Alcohol Acidity sequence
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