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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