Quantum Chemical Calculations of 1JCC Coupling Constants for the Stereochemical Determination of Organic Compounds

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• 作者：Giuseppe Bifulco ; Raffaele Riccio ; Gary E. Martin ; Alexei V. Buevich ; R. Thomas Williamson
• 刊名：Organic Letters
• 出版年：2013
• 出版时间：February 1, 2013
• 年：2013
• 卷：15
• 期：3
• 页码：654-657
• 全文大小：257K
• 年卷期：v.15,no.3(February 1, 2013)
• ISSN：1523-7052

文摘

Quantum chemical calculations of one-bond carbon鈥揷arbon coupling constants are demonstrated as potential probes for the configurational assignment of organic molecules. The stereochemical analysis of strychnine and its possible stereoisomers is presented as proof of concept.