Acta Chimica Sinica ›› 1982, Vol. 40 ›› Issue (8): 673-687.
LIU CHUN-WAN, CAO HUAI-ZHEN
On the basis of additivity in the proton chemical shifts of condensed aromatic hydrocarbons and in the methyl proton chemical shifts of condensed aromatic methyl hydrocarbons described in the previous papers we have definod 12 different structural elements in 6-membered carbocyclic rings for the estimation of carbon-13 chemical shifts, considering the characteristics of microenvironments of carbon atoms in the molecules of condensed aromatic hydrocarbons and the contributions of Q electrons, ring currents of π electrons and van der Waals interaction between carbon atoms in these systems to carbon-13 chemical shifts.
LIU CHUN-WAN, CAO HUAI-ZHEN. THE CALCULATION OF CHEMICAL SHIFTS OF CONDENSED AROMATIC HYDROCARBON SERIES——Ⅲ. ADDITIVITY IN THE CARBON-13 CHEMICAL SHIFTS OF CONDENSED AROMATIC HYDROCARBONS[J]. Acta Chimica Sinica, 1982, 40(8): 673-687.
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