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NMR spectra of carotenoporphyrins. Computer‐assisted conformational analysis

 

作者: Claude Chachaty,   Devens Gust,   Thomas A. Moore,   Gregory A. Nemeth,   Paul A. Liddell,   Ana L. Moore,  

 

期刊: Organic Magnetic Resonance  (WILEY Available online 1984)
卷期: Volume 22, issue 1  

页码: 39-46

 

ISSN:0030-4921

 

年代: 1984

 

DOI:10.1002/mrc.1270220109

 

出版商: John Wiley&Sons Limited

 

数据来源: WILEY

 

摘要:

AbstractA computer‐assisted method of conformational analysis for porphyrin molecules bearing flexible side‐chains has been developed. The method utilizes the ring current‐induced chemical shift changes of the side‐chain protons which arise from the porphyrin macrocycle and any attached aryl rings. The treatment has been applied to a series of carotenoporphyrin molecules, which are important as models for a variety of photophysical processes in biological systems. Chemical shift data of sufficient accuracy for the conformational analysis were obtained from 500 MHz NMR experiments. The conformations of the carotenoporphyrins varied from extended ones with the carotenoid well away from the porphyrin ring to tightly folded species, depending on molecular constitution. The analytical method can be extended to other porphyrin‐base

 

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