Interesting Anion-Inclusion Behavior of Cucurbit[5]uril and Its Lanthanide-Capped Molecular Capsule

The selective encapsulation behavior of cucurbit [5]uril and its lanthanide-capped molecular capsule toward nitrate and chloride ions has been investigated. Using fluorescence spectroscopy, the metal-free host has been demonstrated to selectively include nitrate ion. In contrast, the lanthanide-capped molecular capsule showed preference toward the inclusion of chloride ion. Solid-state structures of the nitrate and chloride inclusion complexes with the La(III)-capped molecular capsule have been crystallographically determined

Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine

Four barrel-shaped artificial molecular capsules based on cucurbit[5]uril, [K4(C30H30N20O10)2(HCONH2)2(H2O)2Cl2]Cl2·CH3OH·17.5H2O (1), {[Ba2(C30H30N20O10)Cl](NO3)(H2O)5}Cl2·2H2O (2), [Cd(C30H30N20O10)Cl2](H3O)22+CdCl42-·2CH3OH2·4H2O (3), and {[La(C30H30N20O10)Cl]LaCl(H2O)9}Cl4·HCl·7H2O (4) were synthesized and structurally characterized by single-crystal X-ray diffractions. The crystal structure of these compounds show that chlorine anions were encapsulated in cucurbit[5]uril to form open or closed molecular capsules. 1 forms a novel one-dimensional (1D) polycationic chain in the solid state and the other three molecular capsules crystallize in isolated molecules

pH-Dependent Assembly of Supramolecular Architectures from 0D to 2D Networks

Five Cu(II)/benzoate/4,4‘-bipy complexes, namely, [Cu(H2O)(benzoate)2(4,4‘-bipy)2](benzoic acid)2·(4,4‘-bipy) (1), [Cu2(H2O)2(benzoate)4(4,4‘-bipy)3]·(H2O)9 (2), [Cu2(benzoate)4(4,4‘-bipy)3] (3), [Cu3(H2O)4(benzoate)6(4,4‘-bipy)4.5]·(4,4‘-bipy)·(H2O)5 (4), and [Cu3(OH)2(H2O)2(benzoate)4(4,4‘-bipy)2] (5) (4,4‘-bipy = 4,4‘-bipyridine), have been synthesized through hydrothermal reaction of copper(II) nitrate, benzoic acid, and 4,4‘-bipyridine under different pH conditions. The diverse product structures show the marked sensitivity of the structural chemistry of the aromatic carboxylate ligand to synthesis conditions. Complex 1, which exhibits a zero-dimensional (0D) structure of mononuclear copper(II), is formed at pH = 5.5. At pH = 6.0, dimeric copper(II) complexes of 2 and 3 are formed. Reaction at pH = 7 leads to a one-dimensional (1D) structure of 4. A further increase of the pH to 8.0 results in a two-dimensional (2D) structure of 5. Crystal data are monoclinic, space group P2/n, a = 13.992(4) Å, b = 5.7153(14) Å, c = 31.126(8) Å, β = 100.513(5)°, Z = 2 for 1, monoclinic, space group C2/c, a = 30.283(5) Å, b = 15.139(2) Å, c = 14.457(2) Å, β = 112.776(3)°, Z = 4 for 2, monoclinic, space group P21/c, a = 5.8317(12) Å, b = 21.157(4) Å, c = 20.679(4) Å, β = 94.343(3)°, Z = 2 for 3, triclinic, space group P1̄, a = 14.016(3) Å, b = 18.492(4) Å, c = 19.353(4) Å, α = 66.220(3)°, β = 79.948(4)°, γ = 88.390(3)°, Z = 2 for 4, and monoclinic, space group P21/c, a = 5.6880(16) Å, b = 17.917(5) Å, c = 20.904(6) Å, β = 92.959(5)°, Z = 2 for 5

Directing Role of Hydrophobic−Hydrophobic and Hydrophilic−Hydrophilic Interactions in the Self-Assembly of Calixarenes/Cucurbiturils-Based Architectures

Two supramolecular architectures were assembled from the supermolecular building blocks of calixarenes and cucurbiturils through noncovalent binding. They not only exhibit an intriguing topology but also show clearly the role of hydrophobic−hydrophobic and hydrophilic−hydrophilic interactions in directing the supramolecular assembly

Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine

Four barrel-shaped artificial molecular capsules based on cucurbit[5]uril, [K4(C30H30N20O10)2(HCONH2)2(H2O)2Cl2]Cl2·CH3OH·17.5H2O (1), {[Ba2(C30H30N20O10)Cl](NO3)(H2O)5}Cl2·2H2O (2), [Cd(C30H30N20O10)Cl2](H3O)22+CdCl42-·2CH3OH2·4H2O (3), and {[La(C30H30N20O10)Cl]LaCl(H2O)9}Cl4·HCl·7H2O (4) were synthesized and structurally characterized by single-crystal X-ray diffractions. The crystal structure of these compounds show that chlorine anions were encapsulated in cucurbit[5]uril to form open or closed molecular capsules. 1 forms a novel one-dimensional (1D) polycationic chain in the solid state and the other three molecular capsules crystallize in isolated molecules

pH-Dependent Assembly of Supramolecular Architectures from 0D to 2D Networks

Five Cu(II)/benzoate/4,4‘-bipy complexes, namely, [Cu(H2O)(benzoate)2(4,4‘-bipy)2](benzoic acid)2·(4,4‘-bipy) (1), [Cu2(H2O)2(benzoate)4(4,4‘-bipy)3]·(H2O)9 (2), [Cu2(benzoate)4(4,4‘-bipy)3] (3), [Cu3(H2O)4(benzoate)6(4,4‘-bipy)4.5]·(4,4‘-bipy)·(H2O)5 (4), and [Cu3(OH)2(H2O)2(benzoate)4(4,4‘-bipy)2] (5) (4,4‘-bipy = 4,4‘-bipyridine), have been synthesized through hydrothermal reaction of copper(II) nitrate, benzoic acid, and 4,4‘-bipyridine under different pH conditions. The diverse product structures show the marked sensitivity of the structural chemistry of the aromatic carboxylate ligand to synthesis conditions. Complex 1, which exhibits a zero-dimensional (0D) structure of mononuclear copper(II), is formed at pH = 5.5. At pH = 6.0, dimeric copper(II) complexes of 2 and 3 are formed. Reaction at pH = 7 leads to a one-dimensional (1D) structure of 4. A further increase of the pH to 8.0 results in a two-dimensional (2D) structure of 5. Crystal data are monoclinic, space group P2/n, a = 13.992(4) Å, b = 5.7153(14) Å, c = 31.126(8) Å, β = 100.513(5)°, Z = 2 for 1, monoclinic, space group C2/c, a = 30.283(5) Å, b = 15.139(2) Å, c = 14.457(2) Å, β = 112.776(3)°, Z = 4 for 2, monoclinic, space group P21/c, a = 5.8317(12) Å, b = 21.157(4) Å, c = 20.679(4) Å, β = 94.343(3)°, Z = 2 for 3, triclinic, space group P1̄, a = 14.016(3) Å, b = 18.492(4) Å, c = 19.353(4) Å, α = 66.220(3)°, β = 79.948(4)°, γ = 88.390(3)°, Z = 2 for 4, and monoclinic, space group P21/c, a = 5.6880(16) Å, b = 17.917(5) Å, c = 20.904(6) Å, β = 92.959(5)°, Z = 2 for 5

Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine

Four barrel-shaped artificial molecular capsules based on cucurbit[5]uril, [K4(C30H30N20O10)2(HCONH2)2(H2O)2Cl2]Cl2·CH3OH·17.5H2O (1), {[Ba2(C30H30N20O10)Cl](NO3)(H2O)5}Cl2·2H2O (2), [Cd(C30H30N20O10)Cl2](H3O)22+CdCl42-·2CH3OH2·4H2O (3), and {[La(C30H30N20O10)Cl]LaCl(H2O)9}Cl4·HCl·7H2O (4) were synthesized and structurally characterized by single-crystal X-ray diffractions. The crystal structure of these compounds show that chlorine anions were encapsulated in cucurbit[5]uril to form open or closed molecular capsules. 1 forms a novel one-dimensional (1D) polycationic chain in the solid state and the other three molecular capsules crystallize in isolated molecules

pH-Dependent Assembly of Supramolecular Architectures from 0D to 2D Networks

Five Cu(II)/benzoate/4,4‘-bipy complexes, namely, [Cu(H2O)(benzoate)2(4,4‘-bipy)2](benzoic acid)2·(4,4‘-bipy) (1), [Cu2(H2O)2(benzoate)4(4,4‘-bipy)3]·(H2O)9 (2), [Cu2(benzoate)4(4,4‘-bipy)3] (3), [Cu3(H2O)4(benzoate)6(4,4‘-bipy)4.5]·(4,4‘-bipy)·(H2O)5 (4), and [Cu3(OH)2(H2O)2(benzoate)4(4,4‘-bipy)2] (5) (4,4‘-bipy = 4,4‘-bipyridine), have been synthesized through hydrothermal reaction of copper(II) nitrate, benzoic acid, and 4,4‘-bipyridine under different pH conditions. The diverse product structures show the marked sensitivity of the structural chemistry of the aromatic carboxylate ligand to synthesis conditions. Complex 1, which exhibits a zero-dimensional (0D) structure of mononuclear copper(II), is formed at pH = 5.5. At pH = 6.0, dimeric copper(II) complexes of 2 and 3 are formed. Reaction at pH = 7 leads to a one-dimensional (1D) structure of 4. A further increase of the pH to 8.0 results in a two-dimensional (2D) structure of 5. Crystal data are monoclinic, space group P2/n, a = 13.992(4) Å, b = 5.7153(14) Å, c = 31.126(8) Å, β = 100.513(5)°, Z = 2 for 1, monoclinic, space group C2/c, a = 30.283(5) Å, b = 15.139(2) Å, c = 14.457(2) Å, β = 112.776(3)°, Z = 4 for 2, monoclinic, space group P21/c, a = 5.8317(12) Å, b = 21.157(4) Å, c = 20.679(4) Å, β = 94.343(3)°, Z = 2 for 3, triclinic, space group P1̄, a = 14.016(3) Å, b = 18.492(4) Å, c = 19.353(4) Å, α = 66.220(3)°, β = 79.948(4)°, γ = 88.390(3)°, Z = 2 for 4, and monoclinic, space group P21/c, a = 5.6880(16) Å, b = 17.917(5) Å, c = 20.904(6) Å, β = 92.959(5)°, Z = 2 for 5

Directing Role of Hydrophobic−Hydrophobic and Hydrophilic−Hydrophilic Interactions in the Self-Assembly of Calixarenes/Cucurbiturils-Based Architectures

Two supramolecular architectures were assembled from the supermolecular building blocks of calixarenes and cucurbiturils through noncovalent binding. They not only exhibit an intriguing topology but also show clearly the role of hydrophobic−hydrophobic and hydrophilic−hydrophilic interactions in directing the supramolecular assembly

A Dihalide–Decahydrate Cluster of [X₂(H₂O)₁₀]^2– in a Supramolecular Architecture of {[Na₂(H₂O)₆(H₂O@TMEQ[6])]·2(C₆H₅NO₃)}X₂(H₂O)₁₀ (TMEQ[6] = α,α′,δ,δ′-Tetramethylcucurbit[6]uril; X = Cl, Br)

A discrete dihalide–decahydrate cluster of [X₂­(H₂O)₁₀]^2– has been observed in a solid-state structure of {[Na₂­(H₂O)₆­(H₂O­@­TMEQ­[6])]·2­(C₆H₅­NO₃)}­X₂­(H₂O)₁₀} (TMEQ[6] = α,α′,δ,δ′-tetra­methyl­cucurbit[6]­uril; X = Cl (<b>1</b>), Br (<b>2</b>)). Its structure can be viewed as a connection of two [X­(H₂O)₃]⁻ clusters with a uudd water tetramer through hydrogen-bonding interactions