Calculation of Chemical Shifts of Protons on Saturated Carbons of Compounds of Small Rings

Chem. J. Chinese Universities ›› 1993, Vol. 14 ›› Issue (2): 217.

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Calculation of Chemical Shifts of Protons on Saturated Carbons of Compounds of Small Rings

LI Lin-Sheng

Institute of Applied Chemistry of Northwest College of Light Industry, Xianyang, 712081

Received:1992-02-25 Revised:1992-06-24 Online:1993-02-24 Published:1993-02-24

Abstract

Abstract: Aformula for estimating the chemical shifts of protons on saturated carbons of compoundsof small rings is presented:δ_H=A+ΣΔ_α+ΣΔ_β. The average error of calculated shift is 0.19 ppm for protons on cyclopropane, 0.15 ppm for cyclobutane, 0.16 ppm for cyclopentane.The chemical shifts depend on the substituents and the class of the rings.The base value Ain the formula is a representation of ring strain.

Key words: Proton chemical shift, Cyclopropane, Cyclobutane, Cyclopentane, Ethylene oxide

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LI Lin-Sheng . Calculation of Chemical Shifts of Protons on Saturated Carbons of Compounds of Small Rings[J]. Chem. J. Chinese Universities, 1993, 14(2): 217.

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Calculation of Chemical Shifts of Protons on Saturated Carbons of Compounds of Small Rings

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