Long-cavity [Pd₂L₄]⁴⁺ cages and designer 1,8-naphthalimide sulfonate guests: rich variation in affinity and differentiated binding stoichiometry

Abstract

<p>One of the most appealing features of [Pd2L4]4+ cages is their well-defined cavities, giving binding affinity for specific guests. If seeking to bind larger and more complex guests, an attractive...</p>

High‐Throughput Computational Evaluation of Low Symmetry Pd2L4Cages to Aid in System Design**

“…[ 8 , 9 , 10 , 11 , 12 ] Wide‐ranging applications for these cages have been investigated, including in drug delivery,[ 13 , 14 , 15 ] biomedicine,[ 16 , 17 , 18 , 19 , 20 , 21 ] catalysis,[ 22 , 23 , 24 , 25 ] and guest encapsulation/recognition. [ 26 , 27 , 28 , 29 , 30 , 31 , 32 ] To simplify the self‐assembly process, most previous reports have focussed on high‐symmetry systems derived from single, symmetrical ligands. However, it is expected that through the controlled introduction of asymmetry, cages could be designed with more intricate, anisotropic binding sites with specific shapes and functionalities.…”

Tuning the Size and Geometry of Pd(II)-Based Metallacalixarenes by Varying the N-Containing Ligands: Synthesis, Structure, and Sensing Properties

“…They are easily obtained in the reaction of cis-protected metal fragments, such as palladium­(II) [Pd­(II)] complexes, with appropriate N-heterocyclic compounds as ligands. Pd­(II) has been one of the most favored metal centers for self-assembly of metallacalixarenes because of its structural advantage of the square-planar coordination. − Various Pd­(II) fragments are utilized to construct metal–organic structures with a range of topologies upon complexation with ligands. − When a cis-protected Pd­(II) compound [Pd­(N^N)] (M) is treated with a suitable nonchelating or chelating bidentate ligand L, an M x L y -type self-assembled complex with the formula [Pd x (N^N) x ( L ) y ]­(monoanion) z could be obtained, with nitrate as the monoanion, hexafluorophosphate or perchlorate as counteranions, and “N^N” as the cis-protecting unit using a chelating bidentate compound with or without a π-cloud as the second ligand, including 2,2′-bipyridine (bpy), 1,10-phenanthroline (phen), 2,2′-dimethyl-bipyridine (dmbpy), ethylenediamine (en), and tetramethylethylenediamine (tmen). ,− Nitrogen donor compounds are most widely used as a nonchelating bidentate ligand L to construct complexes such as pyridine/pyrimidine in neutral formulas and imidazole/pyrazole in neutral or anionic formulas. − …”

High-throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design

“…[8][9][10][11][12] Wide-ranging applications for these cages have been investigated, including in drug delivery, [13][14][15] biomedicine, [16][17][18][19][20][21] catalysis, [22][23][24][25] and guest encapsulation/recognition. [26][27][28][29][30][31][32] To simplify the self-assembly process, most previous reports have focussed on high-symmetry systems derived from single, symmetrical ligands. However, it is expected that through the controlled introduction of asymmetry, cages could be designed with more intricate, anisotropic binding sites with specific shapes and functionalities.…”