Journal article
A general method to predict optical rotations of chiral molecules from their structures
RSC advances, v 13(7), pp 4775-4780
31 Jan 2023
PMID: 36760291
Featured in Collection : UN Sustainable Development Goals @ Drexel
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, sigma(p), 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.
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Details
- Title
- A general method to predict optical rotations of chiral molecules from their structures
- Creators
- Hai-Feng Ji - Drexel University, Materials Science and Engineering
- Publication Details
- RSC advances, v 13(7), pp 4775-4780
- Publisher
- Royal Soc Chemistry
- Number of pages
- 6
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering; Chemistry
- Web of Science ID
- WOS:000928341100001
- Scopus ID
- 2-s2.0-85147969527
- Other Identifier
- 991021861300004721
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InCites Highlights
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- Web of Science research areas
- Chemistry, Multidisciplinary