Ontology highlight
ABSTRACT:
SUBMITTER: Tkachenko NV
PROVIDER: S-EPMC6648391 | biostudies-literature | 2019 Mar
REPOSITORIES: biostudies-literature
ACS omega 20190329 3
The racemization process of various 1,1'-binaphthyl derivatives is studied by quantum calculations. The preferred racemization pathway passes through a transition state belonging to the <i>C<sub>i</sub></i> symmetry group. The energy barrier for this process is independent of solvation, the electron-withdrawing/releasing power of substituents, or their ability to engage in H-bonds within the molecule. The primary factor is instead the substituent size. The barrier is thus reduced when the -OH gr ...[more]