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- W4319297776 abstract "The relationship of the chiroptical response of a molecule to its absolution configuration does not exist now. In this letter, I intend to report a general rule with exceptions to predict the sign of optical rotation of chiral molecules with a RCHXY structure from their absolute configurations using the Hammett constant, σp, which is based on the electron withdrawing/donating power of functional groups. In this rule, a priority list of functional groups based on the electron withdrawing powers of the groups are used. When the lowest priority group is in the back of the molecule, a clockwise arrangement of the other three priorities from the most electron withdrawing to the least withdrawing (1-2-3) is predicted to be dextrorotatory, the counterclockwise arrangement is predicted to be levorotatory." @default.
- W4319297776 created "2023-02-07" @default.
- W4319297776 creator A5069057349 @default.
- W4319297776 date "2023-01-01" @default.
- W4319297776 modified "2023-09-26" @default.
- W4319297776 title "A general method to predict optical rotations of chiral molecules from their structures" @default.
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- W4319297776 doi "https://doi.org/10.1039/d2ra08290j" @default.
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