Plausible Pnicogen Bonding of epi-Cinchonidine as a Chiral Scaffold in Catalysis.

ABSTRACT: As a non-covalent interaction of a chiral scaffold in catalysis, pnicogen bonding of epi-cinchonidine (epi-CD), a cinchona alkaloid, was simulated to consider whether the interaction can have the potential controlling enantiotopic face like hydrogen bonding. Among five reactive functional groups in epi-CD, two stable complexes of the hydroxyl group (X-epi-CD1) at C₁₇ and of the quinoline ring (X-epi-CD2) at N₁₆ with pnictide family analytes [X = substituted phosphine (PX), i.e., F, Br, Cl, CF₃, CN, HO, NO₂, and CH₃, and pnictide family analytes, i.e., PBr₃, BiI₃, SbI₃, and AsI₃] were predicted with intermolecular interaction energies, charge transfer (Q_Mulliken

SUBMITTER: Ullah Z 

PROVIDER: S-EPMC8290064 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature