Chiroptical properties of streptorubin B

Title: Chiroptical properties of streptorubin B
Author(s): 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.
Publication 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
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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