Friedel-Crafts 酰化反应中的正离子中间体：理论和实验提供的结构信息。
Cationic intermediates in Friedel-Crafts acylation: structural information from theory and experiment.
机构信息
Dept. of Chemistry and Biochemistry, University of California, Merced, USA.
出版信息
Chem Commun (Camb). 2011 Jan 7;47(1):409-11. doi: 10.1039/c0cc02286a. Epub 2010 Sep 20.
PMID:20852804
Abstract
Experimentally-determined intramolecular and intermolecular deuterium kinetic isotope effects and computational studies imply three possible kinetic scenarios for the Friedel-Crafts acylation of xylene. The influence of the structural and energetic properties of the π-complexes and σ-complex upon the observed isotope effects is explored.
摘要
实验确定的分子内和分子间氘同位素效应和计算研究为二甲苯的傅-克酰基化反应提出了三种可能的动力学情景。探讨了π-配合物和σ-配合物的结构和能量性质对观察到的同位素效应的影响。
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