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Theoretical π-π* absorption and circular dichroic spectra of helical poly(L-proline) forms I and II

✍ Scribed by Jon Applequist

Publisher
Wiley (John Wiley & Sons)
Year
1981
Tongue
English
Weight
587 KB
Volume
20
Category
Article
ISSN
0006-3525

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

Absorption and CD spectra of the π‐π* transition near 200 nm are calculated for helical (Pro)~n~ I and II (n = 6, 10) using the dipole interaction model, including interactions among all atoms, with optical parameters obtained from previous studies of related molecules. Calculated spectra for (Ala)~n~ and (Pro)~n~ in the same conformation show marked differences. The spectra for (Pro)~n~ are sensitive to side‐chain structure but are found to agree reasonably well with exeriment for forms I and II when the side‐chain CC bond length is set at 1.54 Å, with structural data otherwise obtained from x‐ray diffraction studies.

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