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A theoretical interpretation of13C screening data in unsaturated molecules

 

作者: M. Jallali‐Heravi,   G. A. Webb,  

 

期刊: Organic Magnetic Resonance  (WILEY Available online 1978)
卷期: Volume 11, issue 1  

页码: 34-37

 

ISSN:0030-4921

 

年代: 1978

 

DOI:10.1002/mrc.1270110109

 

出版商: John Wiley&Sons Limited

 

数据来源: WILEY

 

摘要:

AbstractCarbon‐13 screening constants are calculated within the INDO/S level of approximation to Pople's model. Satisfactory agreement is obtained in most cases between the calculated and observed screening results. An analysis of the contributions of the π → σ*, σ → π* and σ → σ* transitions to the paramagnetic term shows that a linear relationship between13C chemical shifts and the lowest energy transition is not present. The average excitation energies are found to vary appreciably among the mole

 

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