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首页> 外文期刊>Indian Journal of Chemistry, Section A. Inorganic, Physical, Theoretical & Analytical >Multiple substituent effects on ~13C chemical shifts in phenylstyryl ketones: Applicability of interactive free energy relationship
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Multiple substituent effects on ~13C chemical shifts in phenylstyryl ketones: Applicability of interactive free energy relationship

机译:多个取代基对苯基苯乙烯基酮中〜13C化学位移的影响:相互作用自由能关系的适用性

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摘要

~13C chemical shifts for 23 mono-and di-substituted phenyl styryl ketones have been determined. The shieldings and deshieldings are compared with previous results for other aromatic derivatives. Correlations of the ~13C chemical shifts of vinyl carbons with Hammett sigma parameters has been determined to provide a consistent picture of electronic effects transmitted through the carbon framework of the compounds studied. Slopes obtained from such Hammett's plots are termed as rho, and using these 'rho' values applicability of interactive free energy relationship to chemical shift values has been tested. The cross-interaction constants q_x and q_y values for C-alpha are found to be -1.02 and for C-beta are - 1.46 and -1.19.
机译:已确定23个单和双取代的苯基苯乙烯基酮的〜13C化学位移。将屏蔽和去屏蔽与其他芳香族衍生物的先前结果进行了比较。已确定乙烯基碳的〜13C化学位移与Hammett sigma参数的相关性,以提供通过所研究化合物的碳骨架传递的电子效应的一致图景。从此类哈米​​特图获得的斜率称为rho,并使用这些“ rho”值测试了相互作用的自由能关系与化学位移值的适用性。发现C-alpha的交互作用常数q_x和q_y值为-1.02,C-beta的交互作用常数为-1.46和-1.19。

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