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The chiral recognition of guest molecules in trio‐ o ‐thymotide clathrates: A semi‐empirical approach . Preliminary communication
Author(s) -
Gerdil Raymond,
Allemand Jacques
Publication year - 1980
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19800630645
Subject(s) - chemistry , enantiomer , stereoselectivity , chirality (physics) , molecule , stereochemistry , lattice (music) , crystal (programming language) , computational chemistry , organic chemistry , chiral symmetry , catalysis , quantum mechanics , physics , acoustics , nambu–jona lasinio model , quark , computer science , programming language
The enantiomers of a chiral solvent can be enclathrated to a different extent in a crystal lattice consisting of tri‐ o ‐thymotide ( 1 ) molecules of a given handedness. This property affords a mean of studying the stereoselective interaction of a chiral environment with an enclosed chiral component. The general approach to account for the observed differences in stereoselectivity is based on the calculation and comparison of the minimum energies for the respective inclusion of enantiomeric guest molecules within a rigid cage of given chirality. An interpretation of the fair chiral recognition of 2‐bromobutane as opposed to the unselective inclusion of 2‐butanol is attempted.