Using two-dimensional NMR spectroscopy, the spatial location of various carboxylate anions relative to the polyene chain of the protonated Schiff base of all-trans-retinal was determined. The observed intermolecular NOE cross-peaks between a proton on the counter ion and a proton near the nitrogen a
A blue shift of protonated retinal schiff base. A model study for bacteriorhodopsin
β Scribed by Mordechai Sheves; Timor Baasov
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- French
- Weight
- 191 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0040-4039
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β¦ Synopsis
A blue shift was observed in the absorption maxima of protonated retinal Schiff base. The shift is due to electrostatic interaction of a non-conjugated positive charge, located in the vicinity of the ionone moiety, with the polyene chromophore.
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Ab initio molecular dynamics at the RHFr3-21G level have been ## Ε½ . performed to study interconversion pathways bond rotation and ring inversion of the protonated β€-ionone Schiff base. Starting with different stationary points on the BornαOppenheimer potential energy surface, the trajectories ar