CALCULATION ON 13C NMR CHEMICAL SHIFTS OF CARBONYL GROUPS

Chinese Journal of Magnetic Resonance ›› 1995, Vol. 12 ›› Issue (6): 649-656.

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CALCULATION ON ¹³C NMR CHEMICAL SHIFTS OF CARBONYL GROUPS

Lu Mowen, Hu WenXiang

Institute of Pharmacology and Toxicology, Academy of Military Medical Sciences, Beijing 100850

Received:1994-10-14 Revised:1995-02-09 Published:1995-12-05 Online:2018-01-17

Abstract

Abstract: Chemical shifts of carbonyl groups in aldehydes,ketones,carbonyl chlorides,carboxylic acids and their esters were calculated with the equation established by our new model.The structural effects of ¹³C NMR were studied,and some abnonnal conditions of carbonyl groups in aldehydes and carboxylic acids were also discussed.

Key words: ¹³C NMR, Carbonyl groups, Unified formula, Calculation of chemical shifts, Principle of spherical symmetry of clectron cloud

Lu Mowen, Hu WenXiang. CALCULATION ON ¹³C NMR CHEMICAL SHIFTS OF CARBONYL GROUPS[J]. Chinese Journal of Magnetic Resonance, 1995, 12(6): 649-656.

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CALCULATION ON ¹³C NMR CHEMICAL SHIFTS OF CARBONYL GROUPS

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