Figure 1. The conformers (EQ0#,
EQ0I, EQ0II, EQ0III,
EQ0IV ) of Leucine and stereo-isomeric species
(EQ1R1, EQ1R2a, EQ2R2a,
EQ1R2b, EQ1R3a, EQ2R3,
EQ1R4) predicted along the gas-phase stereoinversion
pathways of Leucine [Ref. 10]. The labelling of various species
corresponds to the pathways (for details see Ref. 10) The geometries
depicted are optimized at DFT/B3LYP-D3(BJ)/cc-pVTZ level of the theory.
The dashed line represents the hydrogen bonding interactions (with
atomic distances in Å).