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. 1973 Sep;70(9):2619–2623. doi: 10.1073/pnas.70.9.2619

Disulfide Bond Dihedral Angles from Raman Spectroscopy

Harold E Van Wart *, Aaron Lewis *, Harold A Scheraga *,†, Frank D Saeva ‡
PMCID: PMC427068  PMID: 16592108

Abstract

Raman spectra of several compounds containing the CS-SC moiety were obtained (in the solid phase) from 450-800 cm-1 to investigate the S-S and C-S stretching behavior. The S-S stretching frequency varied linearly with the CS-SC dihedral angle (obtained from either x-ray or neutron diffraction or ultraviolet absorption) for compounds whose CC-SS dihedral angles were not very different. The ratio of the intensities of the S-S and C-S stretching bands exhibited no recognizable correlation with either the CS-SC dihedral angle or the CSS bond angle, probably because this ratio is sensitive to the crystalline environment. The linear dependence of the S-S stretching frequency on dihedral angle leads to a dihedral angle for the plant hormone, malformin A, that is in excellent agreement with that estimated from the longest wavelength CS-SC ultraviolet absorption band.

Keywords: malformin A, stretching frequency, UV absorption, conformation

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Selected References

These references are in PubMed. This may not be the complete list of references from this article.

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