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 |
|---|---|
| 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 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
Cite this
The absorption spectrum of chlorophyll a and the chlorophyll/dioxane and chlorophyll/benzoquinone interactions. / Le Brech, Joseph; Leblanc, Roger; Antippa, Adel F.
In: Chemical Physics Letters, Vol. 26, No. 1, 01.05.1974, p. 37-44.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - The absorption spectrum of chlorophyll a and the chlorophyll/dioxane and chlorophyll/benzoquinone interactions
AU - Le Brech, Joseph
AU - Leblanc, Roger
AU - Antippa, Adel F.
PY - 1974/5/1
Y1 - 1974/5/1
N2 - 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.
AB - 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.
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U2 - 10.1016/0009-2614(74)89078-0
DO - 10.1016/0009-2614(74)89078-0
M3 - Article
VL - 26
SP - 37
EP - 44
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1
ER -