Chem. J. Chinese Universities ›› 1996, Vol. 17 ›› Issue (5): 769.
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ZHAO Cun-Yuan1, XIAO Tai1, XU Xian-Fang1, YOU Xiao-Zeng2
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Abstract: The linear relationship between one bond carbon-hydrogen spin-spin coupling constants JCHand the sum of internuclear angle distortions ∑△θ or that of real bond angle dissortion∑△βhas been found.Quadratic expressions of JCH vs.θCCC and JCH vs.s%(C—H) are obtained by fitting polynomials to experimental coupling constants JCH andθCCC or s%(C—H) bonds for the type R2CH2.All the proposed formulae give JCHvalues with less than 2.0 Hz average deviations from experimental values.
Key words: Coupling constants of 13C—H, Ringed organic molecules, Bond angle distortions
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ZHAO Cun-Yuan, XIAO Tai, XU Xian-Fang, YOU Xiao-Zeng. Correlation of Coupling Constants JCH and Bond Angles in Ringed Organic Molecules[J]. Chem. J. Chinese Universities, 1996, 17(5): 769.
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http://www.cjcu.jlu.edu.cn/EN/Y1996/V17/I5/769