02236nas a2200181   4500008004100000022001400041245012100055210006900176260000800245300001600253490000700269520155800276100001601834700002201850700002401872700003001896856012801926       2025                        eng d  a0020-166900aPortal substituent modulations in chiral imido-Pd(II) cages for the enhanced separation of styrene oxide enantiomers0 aPortal substituent modulations in chiral imidoPdII cages for the  cMAY  a10313-103190 v643 a<p>
	Sensing and separation of enantiomers are crucial for the synthesis of biologically relevant compounds as well as for applications in catalysis and pharmaceutical development. Chiral coordination cages have gained significant attention as effective platforms for enantioselective processes through their well-defined, tunable cavities that facilitate host-guest interactions. In this study, we systematically explored the enantioselective binding and separation properties of two tetrahedral Pd(II) cages, 1-R and 2-R, with the molecular formula [Pd3(PO[N(RCH(CH3)Ph)3])4(C6O4X2)6] (X = Cl for 1-R, and X = F for 2-R). Their enantioselective abilities were investigated for small chiral molecules with diverse functional groups. Notably, the 2-R cage demonstrated a high enantioselectivity value of 88 for R-styrene oxide. Chiral separation experiments further revealed impressive enantiomeric excess (ee) values of 98% for R-styrene oxide from their racemic mixtures upon desorption from 2-R. The enhanced selectivity and separation efficiency were attributed to an optimal guest-to-cavity fit and the presence of multiple interaction sites within the host framework. Remarkably, portal substituent modulation in 2-R led to a 16-fold enhancement in enantioselective separation efficiency compared to 1-R, primarily due to improved portal dimensions, tighter molecular packing, and increased hydrogen bonding interactions. These findings highlight the potential of neutral chiral coordination cages for various enantioselective applications.</p>
1 aJose, Cavya1 aSarkar, Abhradeep1 aKhopade, Kishor, V.1 aBoomishankar, Ramamoorthy  uhttps://library.ncl.res.in/content/portal-substituent-modulations-chiral-imido-pdii-cages-enhanced-separation-styrene-oxide