Y. Pinto et al., CONTINUOUS CHIRALITY ANALYSIS OF INTERCONVERSION PATHWAYS OF THE WATER-TRIMER ENANTIOMERS, Journal of the Chemical Society. Faraday transactions, 92(14), 1996, pp. 2523-2527
Citations number
27
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
The dynamic interconversions between the chiral enantiomers of the wat
er trimer are investigated by using the newly developed continuous chi
rality measure methodology. The chirality value along reaction pathway
s leading to enantiomerization, automerization and isomerization, is m
easured quantitatively and analysed. It is found that the interconvers
ions occur along routes which are chiral in all their points. In parti
cular, the favoured flip mechanism is such that the chirality value is
kept almost constant throughout the whole enantiomerization pathway.
The non-handed structure, namely the chiral structure on that pathway
for which the original definition of left-handedness/right-handedness
cannot be assigned, is identified and recognized to be in the vicinity
of the transition state of the enantiomerization. A consequence of th
e quantitative structural approach to chirality, is the ability to ide
ntify isochiral structures, namely those that have the same degree of
chirality.