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Chiroptical properties of streptorubin B
| Title: | Chiroptical properties of streptorubin B |
| Authors: | Rzepa, HS M. Lobo, A S. Andrade, M S Silva, V M. Lourenco, A |
| Item Type: | Dataset |
| Abstract: | The optical rotation of streptorubin B and comparison with the computational spectroscopy for the pair of its atropisomers and homodimers show that its atropisomers by far dominate the chiroptical effects and where atropisomerism is a dynamic phenomenon, with a non-equilibrium population of atropisomers and/or its dimers, the chiroptical responses are likely to vary with time, concentration, temperature and the anion of the salts used. The optical rotation of streptorubin B and comparison with the computational spectroscopy for the pair of its atropisomers and homodimers show that its atropisomers by far dominate the chiroptical effects and where atropisomerism is a dynamic phenomenon, with a non-equilibrium population of atropisomers and/or its dimers, the chiroptical responses are likely to vary with time, concentration, temperature and the anion of the salts used. The optical rotation of streptorubin B and comparison with the computational spectroscopy for the pair of its atropisomers and homodimers show that its atropisomers by far dominate the chiroptical effects and where atropisomerism is a dynamic phenomenon, with a non-equilibrium population of atropisomers and/or its dimers, the chiroptical responses are likely to vary with time, concentration, temperature and the anion of the salts used. |
| Issue Date: | 4-Nov-2014 |
| URI: | http://hdl.handle.net/10044/1/30151 |
| DOI: | https://dx.doi.org/10.6084/m9.figshare.1228008.v1 |
| Keywords: | InChI=1/C25H35N3O.BF3.FH/c1-3-4-10-18-11-7-5-6-8-12-19-15-20(18)22(27-19)16-24-25(29-2)17-23(28-24)21-13-9-14-26-21;2-1(3)4;/h9,13-15,17-18,26-28H,3-8,10-12,16H2,1-2H3;;1H/t18-;;/m0../s1 Computational Chemistry Organic Chemistry Physical Geography Stereochemistry |
| Appears in Collections: | Faculty of Natural Sciences - Research Data |
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