Abstract
A molecular orbital calculation, using the "free-electron-network" method, is reported for the absorption spectrum of chlorophyll a and the complexes chlorophyll/p-dioxane and chlorophyll/p-benzoquinone. For chlorophyll a, our results are in good agreement with experiment and are substantially the same as those obtained by Weiss using the self-consistent molecular-orbital method. Our results seem to indicate: (i) that chlorophyll a has 26 rather than 28 π electrons, (ii) that, in a chlorophyll complex, the central magnesium atom has a coordination number of 6, and (iii) that the chlorophyll/benzoquinone complex has an intense absorption band centered at 713 nm. If present in vivo this complex can provide a model for the P-700 energy trap.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 37-44 |
| Number of pages | 8 |
| Journal | Chemical Physics Letters |
| Volume | 26 |
| Issue number | 1 |
| DOIs | |
| State | Published - May 1 1974 |
| Externally published | Yes |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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Le Brech, J., Leblanc, R. M., & Antippa, A. F. (1974). The absorption spectrum of chlorophyll a and the chlorophyll/dioxane and chlorophyll/benzoquinone interactions. Chemical Physics Letters, 26(1), 37-44. https://doi.org/10.1016/0009-2614(74)89078-0