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NMR spectra of carotenoporphyrins. Computer-assisted conformational analysis

✍ Scribed by Claude Chachaty; Devens Gust; Thomas A. Moore; Gregory A. Nemeth; Paul A. Liddell; Ana L. Moore

Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
712 KB
Volume
22
Category
Article
ISSN
0749-1581

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✦ Synopsis

A computer-assisted method of conformational analysis for porphyrin molecules bearing tlexiile 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 mauocyde 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 suilkient accuracy for the conformational analysis were obtained from 500 MHz NMR experiments. The conformatkns 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 CPUL be extended to other porphyrinbased systems.

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