Abstract
A 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‐based systems.
| Original language | English |
|---|---|
| Pages (from-to) | 39-46 |
| Number of pages | 8 |
| Journal | Magnetic Resonance in Chemistry |
| Volume | 22 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 1984 |
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ASJC Scopus subject areas
- Chemistry(all)
- Materials Science(all)
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NMR spectra of carotenoporphyrins. Computer‐assisted conformational analysis. / Chachaty, Claude; Gust, John Devens; Moore, Thomas A; Nemeth, Gregory A.; Liddell, Paul A.; Moore, Ana L.
In: Magnetic Resonance in Chemistry, Vol. 22, No. 1, 1984, p. 39-46.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - NMR spectra of carotenoporphyrins. Computer‐assisted conformational analysis
AU - Chachaty, Claude
AU - Gust, John Devens
AU - Moore, Thomas A
AU - Nemeth, Gregory A.
AU - Liddell, Paul A.
AU - Moore, Ana L
PY - 1984
Y1 - 1984
N2 - A 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‐based systems.
AB - A 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‐based systems.
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UR - http://www.scopus.com/inward/citedby.url?scp=0012812823&partnerID=8YFLogxK
U2 - 10.1002/mrc.1270220109
DO - 10.1002/mrc.1270220109
M3 - Article
AN - SCOPUS:0012812823
VL - 22
SP - 39
EP - 46
JO - Magnetic Resonance in Chemistry
JF - Magnetic Resonance in Chemistry
SN - 0749-1581
IS - 1
ER -