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Citation: LI Mei-Ping, ZHANG Sheng-Wan, Shi Guang-Wei. Relationship Between ¹³C NMR Chemical Shifts of Aliphatic Amine Compounds and Ionicity Index,Polarizability Effect Index[J]. Chinese Journal of Applied Chemistry, ;2005, 22(11): 1197-1202. shu

Relationship Between ¹³C NMR Chemical Shifts of Aliphatic Amine Compounds and Ionicity Index,Polarizability Effect Index

1.
College of Chemistry and Chemical Engineering, Shanxi University, Taiyuan 030006

Corresponding author: ZHANG Sheng-Wan,
Received Date: 6 December 2004
Available Online: 12 May 2005
Fund Project: 山西省自然科学基金(20041013) (20041013)山西省科技攻关课题(021171)资助项目 (021171)

The study on the relation between the structure parameters of 142 carbon atoms in 39 amine compounds and their ¹³C NMR chemical shifts indicates that the ¹³C NMR chemical shifts of amine compounds are related to the ionicity index(INI),the polarizability effect index(PEI) of alkyl group and stereoscopic effect(α-c,β-c,γ-c):δ_c=175.22+1.70(∑PEI)-16.07(INI)-5.47α+4.01β-3.62γ.The above equation not only clarifis the relation between ¹³C NMR chemical shifts of aliphatic amines and its molecular structural information,but also provides a new calculation method for ¹³C NMR chemical shifts of aliphatic amines.It is the theorietcal basis for analyzing and predicting the ¹³C NMR chemical shifts of aliphatic amines.
- amine compound,
- ¹³C NMR chemical shift,
- ionicity index,
- polarizability effect index,
- stereoscopic effect
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Relationship Between 13C NMR Chemical Shifts of Aliphatic Amine Compounds and Ionicity Index,Polarizability Effect Index

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Relationship Between ¹³C NMR Chemical Shifts of Aliphatic Amine Compounds and Ionicity Index,Polarizability Effect Index