scholarly journals Supramolecular interactions in the solid state

IUCrJ ◽  
2015 ◽  
Vol 2 (6) ◽  
pp. 675-690 ◽  
Author(s):  
Giuseppe Resnati ◽  
Elena Boldyreva ◽  
Petra Bombicz ◽  
Masaki Kawano
Keyword(s):  
Solid State ◽  
Intermolecular Interactions ◽  
Historical Review ◽  
Covalent Bond ◽  
Halogen Bonding ◽  
Molecular Assembly ◽  
Supramolecular Interactions ◽  
Ambient Conditions ◽  
Chemical Research ◽  
Primary Means

In the last few decades, supramolecular chemistry has been at the forefront of chemical research, with the aim of understanding chemistry beyond the covalent bond. Since the long-range periodicity in crystals is a product of the directionally specific short-range intermolecular interactions that are responsible for molecular assembly, analysis of crystalline solids provides a primary means to investigate intermolecular interactions and recognition phenomena. This article discusses some areas of contemporary research involving supramolecular interactions in the solid state. The topics covered are: (1) an overview and historical review of halogen bonding; (2) exploring non-ambient conditions to investigate intermolecular interactions in crystals; (3) the role of intermolecular interactions in morphotropy, being the link between isostructurality and polymorphism; (4) strategic realisation of kinetic coordination polymers by exploiting multi-interactive linker molecules. The discussion touches upon many of the prerequisites for controlled preparation and characterization of crystalline materials.

σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight

CrystEngComm ◽  
2018 ◽  
Vol 20 (45) ◽  
pp. 7281-7292 ◽  
Author(s):  
Kousik Ghosh ◽  
Klaus Harms ◽  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Shouvik Chattopadhyay
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Dft Calculations ◽  
Mixed Valence ◽  
Halogen Bonding ◽  
Supramolecular Interactions ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
Solid State Structures ◽  
Theoretical Insight

Supramolecular interactions in the solid state structures of a mixed valence cobalt(ii/iii) complex and a cobalt(iii) complex have been studied using DFT calculations.

Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane

CrystEngComm ◽  
2020 ◽  
Vol 22 (48) ◽  
pp. 8285-8289
Author(s):  
Alexandru Sava ◽  
Krisztina T. Kegyes ◽  
Bianca T. Popuş ◽  
Bernadette C. Dan ◽  
Cristian Silvestru ◽  
...  
Keyword(s):  
Solid State ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Halogen Bonding ◽  
Terphenyl Ligands

Intermolecular interactions between fluorine atoms, analogous to halogen bonding, are able to drive the solid-state arrangement of molecules.

scholarly journals Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds

IUCrJ ◽  
2018 ◽  
Vol 5 (5) ◽  
pp. 635-646 ◽  
Author(s):  
Khidhir Alhameedi ◽  
Amir Karton ◽  
Dylan Jayatilaka ◽  
Sajesh P. Thomas
Keyword(s):  
Charge Transfer ◽  
Intermolecular Interactions ◽  
Covalent Bond ◽  
Halogen Bonding ◽  
Close Packing ◽  
Bond Orders ◽  
Binding Motifs ◽  
Bond Indices ◽  
Interaction Regions

The question of whether intermolecular interactions in crystals originate from localized atom...atom interactions or as a result of holistic molecule...molecule close packing is a matter of continuing debate. In this context, the newly introduced Roby–Gould bond indices are reported for intermolecular `σ-hole' interactions, such as halogen bonding and chalcogen bonding, and compared with those for hydrogen bonds. A series of 97 crystal systems exhibiting these interaction motifs obtained from the Cambridge Structural Database (CSD) has been analysed. In contrast with conventional bond-order estimations, the new method separately estimates the ionic and covalent bond indices for atom...atom and molecule...molecule bond orders, which shed light on the nature of these interactions. A consistent trend in charge transfer from halogen/chalcogen bond-acceptor to bond-donor groups has been found in these intermolecular interaction regionsviaHirshfeld atomic partitioning of the electron populations. These results, along with the `conservation of bond orders' tested in the interaction regions, establish the significant role of localized atom...atom interactions in the formation of these intermolecular binding motifs.

Co-Crystallisation of 1,4-Diiodotetrafluorobenzene with Three Different Symmetric Dipyridylacetylacetone Isomers Produces Four Halogen-Bonded Architectures

2017 ◽  
Vol 70 (5) ◽  
pp. 594 ◽  
Author(s):  
Joshua J. Brown ◽  
Aidan J. Brock ◽  
Michael C. Pfrunder ◽  
Julia P. Sarju ◽  
Abigail Z. Perry ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Halogen Bond ◽  
Three Dimensional ◽  
Halogen Bonding ◽  
Supramolecular Interactions ◽  
Ambient Conditions ◽  
Supramolecular Architectures ◽  
Crystallisation Behaviour ◽  
Π Stacking

The co-crystallisation behaviour of three symmetrical dipyridylacetylacetone ligands (1,3-di(2-pyridyl)-1,3-propanedione (o-bppdH), 1,3-di(3-pyridyl)-1,3-propanedione (m-bppdH), and 1,3-di(4-pyridyl)-1,3-propanedione (p-bppdH)), with the linear halogen-bond donor 1,4-diiodotetrafluorobenzene (1,4-DITFB) has been investigated. The reaction of these components under ambient conditions in a 1 : 1 stoichiometry produced four halogen-bonded assemblies ([o-bppdH·1,4-DITFB, [m-bppdH·1,4-DITFB], [2(m-bppdH)·1,4-DITFB], and [p-bppdH·1,4-DITFB]). The combination of multiple supramolecular interactions including halogen bonding, hydrogen bonding, and π-stacking produces a range of supramolecular architectures, including one-, two-, and three-dimensional motifs. The crystal structure of m-bppdH is also reported.

Preparation, characterization and luminescence-sensing properties of two ZnII MOFs with mixed 5-amino-2,4,6-tribromoisophthalic acid and bipyridyl-type ligands

2019 ◽  
Vol 75 (7) ◽  
pp. 859-871 ◽  
Author(s):  
Jie Xu ◽  
Kou-Lin Zhang
Keyword(s):  
Solid State ◽  
Second Harmonic ◽  
Three Dimensional ◽  
Halogen Bonding ◽  
Supramolecular Interactions ◽  
Supramolecular Network ◽  
X Ray Diffraction ◽  
Vis Spectroscopy ◽  
Metal Organic ◽  
Ft Ir

The bromo-substituted aromatic dicarboxylic acid 5-amino-2,4,6-tribromoisophthalic acid (H2ATBIP), in the presence of the N-donor flexible bipyridyl-type ligands 1,3-bis(pyridin-4-yl)propane (bpp) and N,N′-bis(pyridin-4-ylmethyl)oxalamide (4-bpme) and ZnII ions, was used as an O-donor ligand to assemble two novel luminescent metal–organic frameworks (MOFs), namely poly[[(μ-5-amino-2,4,6-tribromoisophthalato-κ2 O 1:O 3)[μ-1,3-bis(pyridin-4-yl)propane-κ2 N:N′]zinc(II)] dimethylformamide monosolvate], {[Zn(C8H2Br3NO4)(C13H14N2)]·C3H7NO} n , (1), and poly[[(μ-5-amino-2,4,6-tribromoisophthalato-κ2 O 1:O 3)diaqua[μ-N,N′-bis(pyridin-4-ylmethyl)oxalamide-κ2 N:N′]zinc(II)] monohydrate], {[Zn(C8H2Br3NO4)(C14H14N4O2)(H2O)2]·H2O} n , (2), using the solution evaporation method. Both (1) and (2) were characterized by FT–IR spectroscopy, elemental analysis (EA), solid-state diffuse-reflectance UV–Vis spectroscopy, and powder and single-crystal X-ray diffraction analysis. Complex (1) shows a two-dimensional (2D) corrugated layer simplified as a 2D (4,4) topological network. The supramolecular interactions (π–π stacking, hydrogen bonding and C—Br...Br halogen bonding) play significant roles in the formation of an extended three-dimensional (3D) supramolecular network of (1). Complex (2) crystallizes in the chiral space group P212121 and exhibits a novel 3D homochiral framework, showing a diamond-like topology with Schläfli symbol 66. The homochirality of (2) is further confirmed by the solid-state circular dichroism (CD) spectrum. The second harmonic generation (SHG) property of (2) was also investigated. The hydrogen and C—Br...Br/O halogen bonding further stabilize the framework of (2). The central ZnII ions in (1) and (2) show tetrahedral and octahedral coordination geometries, respectively. The coordinated and uncoordinated water molecules in (2) could be removed selectively upon heating. Most importantly, (1) and (2) show rapid and highly sensitive sensing for a large pool of nitroaromatic explosives (NAEs).

Bottom-Up Solid-State Molecular Assembly via Guest-Induced Intermolecular Interactions

2021 ◽  
Author(s):  
Jia-Rui Wu ◽  
Zhi Cai ◽  
Gengxin Wu ◽  
Dihua Dai ◽  
Yu-Qing Liu ◽  
...  
Keyword(s):  
Solid State ◽  
Intermolecular Interactions ◽  
Molecular Assembly ◽  
Bottom Up

Chemically Fueled Assembly of Macrocycles Comprising Multiple Transient Bonds

2019 ◽  
Author(s):  
Mohammad Mosharraf Hossain ◽  
Joshua Atkinson ◽  
Scott Hartley
Keyword(s):  
Covalent Bond ◽  
Dicarboxylic Acids ◽  
Molecular Assembly ◽  
Chemical Systems ◽  
Complex Architectures ◽  
The Creation ◽  
Dynamic Exchange

Dissipative (nonequilibrium) assembly powered by chemical fuels has great potential for the creation of new adaptive chemical systems. However, while molecular assembly at equilibrium is routinely used to prepare complex architectures from polyfunctional monomers, species formed out of equilibrium have, to this point, been structurally very simple. In most examples the fuel simply effects the formation of a single transient covalent bond. Here, we show that chemical fuels can assemble bifunctional components into macrocycles containing multiple transient bonds. Specifically, dicarboxylic acids give aqueous dianhydride macrocycles on treatment with a carbodiimide. The macrocycle is assembled efficiently as a consequence of both fuel-dependent and -independent mechanisms: it undergoes slower decomposition, building up as the fuel recycles the components, and is a favored product of the dynamic exchange of the anhydride bonds. These results create new possibilities for generating structurally sophisticated out-of-equilibrium species.

Chemically Fueled Assembly of Macrocycles Comprising Multiple Transient Bonds

2019 ◽  
Author(s):  
Mohammad Mosharraf Hossain ◽  
Joshua Atkinson ◽  
Scott Hartley
Keyword(s):  
Covalent Bond ◽  
Dicarboxylic Acids ◽  
Molecular Assembly ◽  
Chemical Systems ◽  
Complex Architectures ◽  
The Creation ◽  
Dynamic Exchange

Dissipative (nonequilibrium) assembly powered by chemical fuels has great potential for the creation of new adaptive chemical systems. However, while molecular assembly at equilibrium is routinely used to prepare complex architectures from polyfunctional monomers, species formed out of equilibrium have, to this point, been structurally very simple. In most examples the fuel simply effects the formation of a single transient covalent bond. Here, we show that chemical fuels can assemble bifunctional components into macrocycles containing multiple transient bonds. Specifically, dicarboxylic acids give aqueous dianhydride macrocycles on treatment with a carbodiimide. The macrocycle is assembled efficiently as a consequence of both fuel-dependent and -independent mechanisms: it undergoes slower decomposition, building up as the fuel recycles the components, and is a favored product of the dynamic exchange of the anhydride bonds. These results create new possibilities for generating structurally sophisticated out-of-equilibrium species.

scholarly journals Ultra-strong bio-glue from genetically engineered polypeptides

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Chao Ma ◽  
Jing Sun ◽  
Bo Li ◽  
Yang Feng ◽  
Yao Sun ◽  
...  
Keyword(s):  
Soft Tissues ◽  
Covalent Bond ◽  
Genetically Engineered ◽  
Supramolecular Interactions ◽  
Molar Ratio ◽  
High Adhesion ◽  
Strong Adhesion ◽  
Order Of Magnitude

AbstractThe development of biomedical glues is an important, yet challenging task as seemingly mutually exclusive properties need to be combined in one material, i.e. strong adhesion and adaption to remodeling processes in healing tissue. Here, we report a biocompatible and biodegradable protein-based adhesive with high adhesion strengths. The maximum strength reaches 16.5 ± 2.2 MPa on hard substrates, which is comparable to that of commercial cyanoacrylate superglue and higher than other protein-based adhesives by at least one order of magnitude. Moreover, the strong adhesion on soft tissues qualifies the adhesive as biomedical glue outperforming some commercial products. Robust mechanical properties are realized without covalent bond formation during the adhesion process. A complex consisting of cationic supercharged polypeptides and anionic aromatic surfactants with lysine to surfactant molar ratio of 1:0.9 is driven by multiple supramolecular interactions enabling such strong adhesion. We demonstrate the glue’s robust performance in vitro and in vivo for cosmetic and hemostasis applications and accelerated wound healing by comparison to surgical wound closures.

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