01732nas a2200193   4500008004100000022001400041245011300055210006900168260000900237300001600246490000700262520102600269100001601295700002201311700002701333700001901360700003001379856012901409       2023                        eng d  a0020-166900aSquarate-tethered enantiomeric Imido-Pd(II) cages for recognition and separation of chiral organic molecules0 aSquaratetethered enantiomeric ImidoPdII cages for recognition an  cNOV   a19375-193810 v623 a<p>
	Chiral coordination cages have emerged as an efficient platform for enantioselective processes via host-guest interactions. Here, we report an enantiomeric pair of tetrahedral cages of formula [(Pd-3[PO(N(*CH(CH3)Ph)(3)])(4)(C4O4)(6)] supported by chiral tris(imido)phosphate trianions and squarate (C4O4)(2-) linkers. These cages exhibit unusual coordination isomerism for Pd(II)-linker bonds compared with the other Pd(II) cages of this family. Further, they were employed for the recognition and separation of small chiral molecules containing various functionalities. High enantioselectivities of 67 and 41 were found in the case of R-4-hydroxydihydrofuran-2(3H)-one and S-epichlorohydrin, recognized by the R-isomer of the cage. Chiral separation studies showed remarkable enantiomeric excess values of 93 and 85% for S-epichlorohydrin and R-4-benzyl-2-oxazolidinone, respectively, from their racemic mixtures. These studies showcase the potential of coordination cages for enantioselective applications.</p>
1 aJose, Cavya1 aSarkar, Meghamala1 aRajasekar, Prabhakaran1 aTewari, Tanuja1 aBoomishankar, Ramamoorthy  uhttps://library.ncl.res.in/content/squarate-tethered-enantiomeric-imido-pdii-cages-recognition-and-separation-chiral-organic02229nas a2200241   4500008004100000022001400041245015000055210006900205260000800274300001600282490000700298520136500305100002201670700002401692700001901716700002001735700001901755700001801774700001901792700003001811700001801841856012801859       2025                        eng d  a2041-652000aSteric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties0 aSteric hindrance modulated efficient thermally activated delayed  cJUL  a11989-119980 v163 a<p>
	Multi-carbazole-based benzonitrile systems are efficient thermally activated delayed fluorescence (TADF) materials for organic light-emitting diodes (OLEDs). However, they suffer from low PLQY due to the large dihedral angle arising from steric crowding. Addressing this challenge, we demonstrate a potent strategy to engineer steric crowding in this work. To achieve our goal, we have designed three luminogens, namely, CzPHCN, tCzPHCN and Cz2CzPHCN based on phenanthrene-9,10-dicarbonitrile (PHCN), as an acceptor core to minimize the steric hindrance between the donor groups. Among the three luminogens, tCzPHCN exhibits a maximum PLQY of 86% and the highest RISC rate of 3.5 x 105 s-1, the underlying cause being the least dihedral angle of 45.72 degrees and suppressed intermolecular interaction due to the presence of the bulky tert-butyl group. Interestingly, our QM/MM calculations and experimental evidence suggest that the RISC process of both CzPHCN and tCzPHCN takes place via a hot exciton channel. Unlocking a new realm of applications, the unique non-centrosymmetric space group (Cmc21) of CzPHCN offers excellent SHG with a chi(2) value of 0.21 pm V-1 at 1320 nm. In addition to this, the molecule depicts good ferroelectric (PS = 0.32 mu C cm-2), piezoelectric energy harvesting (VOC = 2.8 V) and two-photon absorption properties.</p>
1 aDutta, Madhusudan1 aChatterjee, Abhijit1 aDeka, Nilotpal1 aTanwar, Riteeka1 aMishra, Vishnu1 aSaha, Arindam1 aMandal, Pankaj1 aBoomishankar, Ramamoorthy1 aHazra, Partha  uhttps://library.ncl.res.in/content/steric-hindrance-modulated-efficient-thermally-activated-delayed-fluorescence-non-linear