Two‐dimensional Organic Supramolecule via Hydrogen Bonding and π‐π Stacking for Ultrahigh Capacity and Long‐Life Aqueous Zinc‐Organic Batteries

2022 ◽  
Author(s):  
Yuan Chen ◽  
Jianyao Li ◽  
Qin Zhu ◽  
Kun Fan ◽  
Yiqing Cao ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Two Dimensional ◽  
Π Stacking ◽  
Long Life ◽  
Organic Batteries

Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network

2021 ◽  
Vol 77 (2) ◽  
pp. 211-218
Author(s):  
Ivica Cvrtila ◽  
Vladimir Stilinović
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
The Other ◽  
Two Dimensional ◽  
Structural Motifs ◽  
Supramolecular Isomerism ◽  
Other Hand ◽  
Π Stacking ◽  
Hydrogen Bonded

The crystal structures of two polymorphs of a phenazine hexacyanoferrate(II) salt/cocrystal, with the formula (Hphen)3[H2Fe(CN)6][H3Fe(CN)6]·2(phen)·2H2O, are reported. The polymorphs are comprised of (Hphen)2[H2Fe(CN)6] trimers and (Hphen)[(phen)2(H2O)2][H3Fe(CN)6] hexamers connected into two-dimensional (2D) hydrogen-bonded networks through strong hydrogen bonds between the [H2Fe(CN)6]2− and [H3Fe(CN)6]− anions. The layers are further connected by hydrogen bonds, as well as through π–π stacking of phenazine moieties. Aside from the identical 2D hydrogen-bonded networks, the two polymorphs share phenazine stacks comprising both protonated and neutral phenazine molecules. On the other hand, the polymorphs differ in the conformation, placement and orientation of the hydrogen-bonded trimers and hexamers within the hydrogen-bonded networks, which leads to different packing of the hydrogen-bonded layers, as well as to different hydrogen bonding between the layers. Thus, aside from an exceptional number of symmetry-independent units (nine in total), these two polymorphs show how robust structural motifs, such as charge-assisted hydrogen bonding or π-stacking, allow for different arrangements of the supramolecular units, resulting in polymorphism.

Aqua(2,2′-bipyridine)maleatocopper(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m916-m918 ◽  
Author(s):  
Ming-Tian Li ◽  
Xu-Cheng Fu ◽  
Cheng-Gang Wang
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Pyramidal Geometry ◽  
Π Stacking ◽  
Carboxylate Groups ◽  
Tetragonal Pyramidal ◽  
Bipyridine Ligand

In the molecule of the title compound, [Cu(C10H8N2)(C4H2O4)(H2O)]·2H2O, the Cu(II) atom has elongated tetragonal pyramidal geometry, coordinated by one water O atom, two N atoms of the 2,2′-bipyridine ligand and two O atoms of the two carboxylate groups of the maleate dianion. The molecules are linked through hydrogen-bonding and π–π stacking interactions, forming a two-dimensional supramolecular structure.

scholarly journals Crystal structure of bis{4-bromo-2-[(carbamimidamidoimino)methyl]phenolato-κ3N,N′,O}cobalt(III) nitrate dimethylformamide monosolvate

2016 ◽  
Vol 72 (7) ◽  
pp. 907-911 ◽  
Author(s):  
Elena A. Buvaylo ◽  
Katerina A. Kasyanova ◽  
Olga Yu. Vassilyeva ◽  
Brian W. Skelton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Lattice ◽  
Title Compound ◽  
Two Dimensional ◽  
Planar Conformation ◽  
Π Stacking ◽  
Solvent Molecules ◽  
Nitrate Anions

The title compound, [Co(C8H8BrN4O)2]NO3·C3H7NO, is formed of discrete [CoL2]+cations, nitrate anions and dimethylformamide (DMF) molecules of crystallization. The cation has no crystallographically imposed symmetry. The ligand molecules are deprotonated at the phenol O atom and octahedrally coordinate the CoIIIatoms through the azomethine N and phenolate O atoms in amerconfiguration. The deprotonated ligand molecules adopt an almost planar conformation. In the crystal lattice, the cations are arranged in layers in theabplane divided by the nitrate anions and solvent molecules. No π–π stacking is observed. All of the amine H atoms are involved in hydrogen bonding to nitrate, DMF or ligand O atoms or to one of the Br atoms, forming two-dimensional networks parallel to (100).

Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π–π stacking interactions

2013 ◽  
Vol 69 (3) ◽  
pp. 219-224 ◽  
Author(s):  
Anna S. Degtyarenko ◽  
Konstantin V. Domasevitch
Keyword(s):  
Hydrogen Bonding ◽  
Organic Ligands ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Π Stacking ◽  
Thiocyanate Complexes

New complexes containing the 1,4-bis(pyridazin-4-yl)benzene ligand, namely diaquatetrakis[1,4-bis(pyridazin-4-yl)benzene-κN2]cadmium(II) hexaiodidodicadmate(II), [Cd(C14H10N4)4(H2O)2][Cd2I6], (I), and poly[[μ-1,4-bis(pyridazin-4-yl)benzene-κ2N2:N2′]bis(μ-thiocyanato-κ2N:S)cadmium(II)], [Cd(NCS)2(C14H10N4)]n, (II), demonstrate the adaptability of the coordination geometries towards the demands of slipped π–π stacking interactions between the extended organic ligands. In (I), the discrete cationic [Cd—N = 2.408 (3) and 2.413 (3) Å] and anionic [Cd—I = 2.709 (2)–3.1201 (14) Å] entities are situated across centres of inversion. The cations associateviacomplementary O—H...N2′hydrogen bonding [O...N = 2.748 (4) and 2.765 (4) Å] and extensive triple π–π stacking interactions between pairs of pyridazine and phenylene rings [centroid–centroid distances (CCD) = 3.782 (4)–4.286 (3) Å] to yield two-dimensional square nets. The [Cd2I6]2−anions reside in channels generated by packing of successive nets. In (II), the CdIIcation lies on a centre of inversion and the ligand is situated across a centre of inversion. A two-dimensional coordination array is formed by crosslinking of linear [Cd(μ-NCS)2]nchains [Cd—N = 2.3004 (14) Å and Cd—S = 2.7804 (5) Å] withN2:N2′-bidentate organic bridges [Cd—N = 2.3893 (12) Å], which generate π–π stacks by double-slipped interactions between phenylene and pyridazine rings [CCD = 3.721 (2) Å].

Hierarchy of π-Stacking Determines the Conformational Preference of Bis-Squaraines

2020 ◽  
Author(s):  
Abhishek Singh ◽  
Reman K. Singh ◽  
G Naresh Patwari
Keyword(s):  
Hydrogen Bonding ◽  
Rational Design ◽  
Biological Molecules ◽  
Conformational Space ◽  
X Ray Crystallography ◽  
Simple Strategy ◽  
Induced Folding ◽  
Π Stacking ◽  
Varying Length ◽  
Dynamics Simulations

The rational design of conformationally controlled foldable modules can lead to a deeper insight into the conformational space of complex biological molecules where non-covalent interactions such as hydrogen bonding and π-stacking are known to play a pivotal role. Squaramides are known to have excellent hydrogen bonding capabilities and hence, are ideal molecules for designing foldable modules that can mimic the secondary structures of bio-molecules. The π-stacking induced folding of bis-squaraines tethered using aliphatic primary and secondary-diamine linkers of varying length is explored with a simple strategy of invoking small perturbations involving the length linkers and degree of substitution. Solution phase NMR investigations in combination with molecular dynamics simulations suggest that bis-squaraines predominantly exist as extended conformations. Structures elucidated by X-ray crystallography confirmed a variety of folded and extended secondary conformations including hairpin turns and 𝛽-sheets which are determined by the hierarchy of π-stacking relative to N–H···O hydrogen bonds.

Hierarchy of π-Stacking Determines the Conformational Preference of Bis-Squaraines

2020 ◽  
Author(s):  
Abhishek Singh ◽  
Reman K. Singh ◽  
G Naresh Patwari
Keyword(s):  
Hydrogen Bonding ◽  
Rational Design ◽  
Biological Molecules ◽  
Conformational Space ◽  
X Ray Crystallography ◽  
Simple Strategy ◽  
Induced Folding ◽  
Π Stacking ◽  
Varying Length ◽  
Dynamics Simulations

The rational design of conformationally controlled foldable modules can lead to a deeper insight into the conformational space of complex biological molecules where non-covalent interactions such as hydrogen bonding and π-stacking are known to play a pivotal role. Squaramides are known to have excellent hydrogen bonding capabilities and hence, are ideal molecules for designing foldable modules that can mimic the secondary structures of bio-molecules. The π-stacking induced folding of bis-squaraines tethered using aliphatic primary and secondary-diamine linkers of varying length is explored with a simple strategy of invoking small perturbations involving the length linkers and degree of substitution. Solution phase NMR investigations in combination with molecular dynamics simulations suggest that bis-squaraines predominantly exist as extended conformations. Structures elucidated by X-ray crystallography confirmed a variety of folded and extended secondary conformations including hairpin turns and 𝛽-sheets which are determined by the hierarchy of π-stacking relative to N–H···O hydrogen bonds.

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