Substituent effects on 15N and 13C NMR chemical shifts of 3??phenylisoxazoles: a theoretical and spectroscopic study

MH Schofield, MA Sorel, RJ Manalansan…

文献索引：Schofield, Mark H.; Sorel, Marie-Adele; Manalansan, Ryan J.; Richardson, David P.; Markgraf, J. Hodge Magnetic Resonance in Chemistry, 2006 , vol. 44, # 9 p. 851 - 855

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被引用次数: 5

摘要

Abstract The synthesis and assignment of 15 N and 13 C NMR signals of the isoxazole ring in a series of para-substituted 3-phenyl derivatives are reported. DFT calculations of 15 N and 13 C chemical shifts are presented and compared to observed values. Substituent effects are interpreted in terms of the Hammett correlation and calculated bond orders. Copyright© 2006 John Wiley & Sons, Ltd.