Robust Supramolecular Nano-Tunnels Built from Molecular Bricks

2020 ◽  
Author(s):  
Peifa Wei ◽  
Zheng Zheng ◽  
Junyi Gong ◽  
Jun Zhang ◽  
Herman H.-Y. Sung ◽  
...  
Keyword(s):  
Single Crystal ◽  
Organic Molecules ◽  
Co2 Adsorption ◽  
Linear Molecule ◽  
Self Healing ◽  
Pi Stacking ◽  
New Methods ◽  
Hydrogen Bonding Interactions ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Chemists are always seeking new methods to construct porous lattice frameworks using simple motifs as the impetus. Different from the extensively reported frameworks which were stabilized by extended bonding, porous crystals of discrete organic molecules is an emerging area of porous materials with dynamic and flexible conformation, consisting exclusively of non-covalent interactions. Herein we report geometrically simple linear molecule that assemble into a supramolecular nano-tunnel through synergy of anionic trident and multiple intermolecular pi-pi stacking interactions. The nano-tunnel crystal exhibit exceptional chemical stability in concentrated HCl and NaOH aqueous solutions, which is rarely been seen in supramolecular organic frameworks and often related to designed extensive hydrogen bonding interactions. Upon thermal treatment, the formed nano-tunnel crystals go through multistage single-crystal-to-single-crystal phase transformations accompanied by thermosalient effect. Aggregation-induced emission joins with the adaptive pores render the crystals with responsive fluorescent change from blue to yellow and visible self-healing porosity transformation upon being stimulated. Furthermore, the desolvated pores exhibit highly selective CO2 adsorption at ambient temperature. <br>

Robust Supramolecular Nano-Tunnels Built from Molecular Bricks

2020 ◽  
Author(s):  
Peifa Wei ◽  
Zheng Zheng ◽  
Junyi Gong ◽  
Jun Zhang ◽  
Herman H.-Y. Sung ◽  
...  
Keyword(s):  
Single Crystal ◽  
Organic Molecules ◽  
Co2 Adsorption ◽  
Linear Molecule ◽  
Self Healing ◽  
Pi Stacking ◽  
New Methods ◽  
Hydrogen Bonding Interactions ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Chemists are always seeking new methods to construct porous lattice frameworks using simple motifs as the impetus. Different from the extensively reported frameworks which were stabilized by extended bonding, porous crystals of discrete organic molecules is an emerging area of porous materials with dynamic and flexible conformation, consisting exclusively of non-covalent interactions. Herein we report geometrically simple linear molecule that assemble into a supramolecular nano-tunnel through synergy of anionic trident and multiple intermolecular pi-pi stacking interactions. The nano-tunnel crystal exhibit exceptional chemical stability in concentrated HCl and NaOH aqueous solutions, which is rarely been seen in supramolecular organic frameworks and often related to designed extensive hydrogen bonding interactions. Upon thermal treatment, the formed nano-tunnel crystals go through multistage single-crystal-to-single-crystal phase transformations accompanied by thermosalient effect. Aggregation-induced emission joins with the adaptive pores render the crystals with responsive fluorescent change from blue to yellow and visible self-healing porosity transformation upon being stimulated. Furthermore, the desolvated pores exhibit highly selective CO2 adsorption at ambient temperature. <br>

Construction of triple non-covalent interaction-based ultra-strong self-healing polymeric gels via frontal polymerization

2020 ◽  
Vol 8 (40) ◽  
pp. 14083-14091
Author(s):  
Ji-Dong Liu ◽  
Xiang-Yun Du ◽  
Cai-Feng Wang ◽  
Qing Li ◽  
Su Chen
Keyword(s):  
Frontal Polymerization ◽  
Self Healing ◽  
Smart Window ◽  
Covalent Interaction ◽  
Polymeric Gels ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Robust and self-healing polymeric gels based on triple non-covalent interactions have been constructed for generation of a new self-healing thermoresponsive smart window.

Nano-structuring polymer/fullerene composites through the interplay of conjugated polymer crystallization, block copolymer self-assembly and complementary hydrogen bonding interactions

2015 ◽  
Vol 6 (5) ◽  
pp. 721-731 ◽  
Author(s):  
Fei Li ◽  
Kevin G. Yager ◽  
Noel M. Dawson ◽  
Ying-Bing Jiang ◽  
Kevin J. Malloy ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Block Copolymer ◽  
Supramolecular Chemistry ◽  
Self Assembly ◽  
Conjugated Polymer ◽  
Composite Nanofibers ◽  
Core Shell ◽  
Hydrogen Bonding Interactions ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Core–shell P3HT/fullerene composite nanofibers were obtained using supramolecular chemistry involving cooperative orthogonal non-covalent interactions.

scholarly journals Self-Healing Hydrogels: Preparation, Mechanism and Advancement in Biomedical Applications

Polymers ◽  
2021 ◽  
Vol 13 (21) ◽  
pp. 3782
Author(s):  
Anupama Devi V. K. ◽  
Rohin Shyam ◽  
Arunkumar Palaniappan ◽  
Amit Kumar Jaiswal ◽  
Tae-Hwan Oh ◽  
...  
Keyword(s):  
Composite Materials ◽  
Biomedical Applications ◽  
Cell Encapsulation ◽  
Self Healing ◽  
3D Bioprinting ◽  
Engineering Systems ◽  
Future Perspectives ◽  
Non Covalent Interactions ◽  
Polymeric Hydrogels ◽  
Covalent Interactions

Polymeric hydrogels are widely explored materials for biomedical applications. However, they have inherent limitations like poor resistance to stimuli and low mechanical strength. This drawback of hydrogels gave rise to ‘’smart self-healing hydrogels’’ which autonomously repair themselves when ruptured or traumatized. It is superior in terms of durability and stability due to its capacity to reform its shape, injectability, and stretchability thereby regaining back the original mechanical property. This review focuses on various self-healing mechanisms (covalent and non-covalent interactions) of these hydrogels, methods used to evaluate their self-healing properties, and their applications in wound healing, drug delivery, cell encapsulation, and tissue engineering systems. Furthermore, composite materials are used to enhance the hydrogel’s mechanical properties. Hence, findings of research with various composite materials are briefly discussed in order to emphasize the healing capacity of such hydrogels. Additionally, various methods to evaluate the self-healing properties of hydrogels and their recent advancements towards 3D bioprinting are also reviewed. The review is concluded by proposing several pertinent challenges encountered at present as well as some prominent future perspectives.

scholarly journals Recognition and Sensing of Chiral Organic Molecules by Chiral Porphyrinoids: A Review

Chemosensors ◽  
2021 ◽  
Vol 9 (8) ◽  
pp. 204
Author(s):  
Gabriele Travagliante ◽  
Massimiliano Gaeta ◽  
Roberto Purrello ◽  
Alessandro D’Urso
Keyword(s):  
Scientific Community ◽  
Chiral Recognition ◽  
Organic Molecules ◽  
Chiral Discrimination ◽  
Spectroscopic Techniques ◽  
Chiral Molecules ◽  
Relevant Research ◽  
Non Covalent Interactions ◽  
Organic Guests ◽  
Covalent Interactions

Porphyrinoids are extremely attractive for their electronic, optical, and coordination properties as well as for their versatile substitution at meso/β-positions. All these features allow porphyrinoids to behave as chiroptical hosts for chiral recognition by means of non-covalent interactions towards chiral guests. Over the years, chiral discrimination of chiral molecules such as amino acids, alcohols, amines, hydroxy-carboxylic acids, etc. has aroused the interest of the scientific community. Hence, this review aims to report on the progress to date by illustrating some relevant research regarding the chiral recognition of a multitude of chiral organic guests through several chiral mono- and bis-porphyrins via different spectroscopic techniques.

Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repulsive Contacts

2020 ◽  
Author(s):  
Kristian Kříž ◽  
Martin Nováček ◽  
Jan Řezáč
Keyword(s):  
Organic Molecules ◽  
Energy Surface ◽  
Molecular Complexes ◽  
Data Sets ◽  
Interaction Energies ◽  
Data Set ◽  
Benchmark Data ◽  
Mechanical Methods ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The new R739×5 data set from the Non-Covalent Interactions Atlas series (www.nciatlas.org) focuses on repulsive contacts in molecular complexes, covering organic molecules, sulfur, phosphorus, halogens and noble gases. Information on the repulsive parts of the potential energy surface is crucial for the development of robust empirically parametrized computational methods. We use the new data set of highly accurate CCSD(T)/CBS interaction energies to test existing DFT and semiempirical quantum-mechanical methods. On the example of the PM6 method, we analyze the source of the error and its relation to the difficulties in the description of conformational energies, and we also devise an immediately applicable correction that fixes the most serious uncorrected issues previously encountered in practical calculations.

scholarly journals The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts

2010 ◽  
Vol 6 ◽  
Author(s):  
Kari Raatikainen ◽  
Massimo Cametti ◽  
Kari Rissanen
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Halogen Bonding ◽  
Relative Strength ◽  
Supramolecular Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structural Database ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The series of haloanilinium and halopyridinium salts: 4-IPhNH3Cl (1), 4-IPhNH3Br (5), 4-IPhNH3H2PO4 (6), 4-ClPhNH3H2PO4 (8), 3-IPyBnCl (9), 3-IPyHCl (10) and 3-IPyH-5NIPA (3-iodopyridinium 5-nitroisophthalate, 13), where hydrogen or/and halogen bonding represents the most relevant non-covalent interactions, has been prepared and characterized by single crystal X-ray diffraction. This series was further complemented by extracting some relevant crystal structures: 4-BrPhNH3Cl (2, CCDC ref. code TAWRAL), 4-ClPhNH3Cl (3, CURGOL), 4-FPhNH3Cl (4, ANLCLA), 4-BrPhNH3H2PO4, (7, UGISEI), 3-BrPyHCl, (11, CIHBAX) and 3-ClPyHCl, (12, VOQMUJ) from Cambridge Structural Database for sake of comparison. Based on the X-ray data it was possible to highlight the balance between non-covalent forces acting in these systems, where the relative strength of the halogen bonding C–X···A− (X = I, Br or Cl) and the ratio between the halogen and hydrogen bonds [C–X···A− : D–H···A−] varied across the series.

scholarly journals Steric “attraction”: not by dispersion alone

2018 ◽  
Vol 14 ◽  
pp. 1482-1490 ◽  
Author(s):  
Ganna Gryn’ova ◽  
Clémence Corminboeuf
Keyword(s):  
Structure Prediction ◽  
Electrostatic Interactions ◽  
Short Range ◽  
Organic Molecules ◽  
Crystal Structure Prediction ◽  
Range Effect ◽  
Electrostatic Stabilization ◽  
Non Covalent Interactions ◽  
London Dispersion ◽  
Covalent Interactions

Non-covalent interactions between neutral, sterically hindered organic molecules generally involve a strong stabilizing contribution from dispersion forces that in many systems turns the ‘steric repulsion’ into a ‘steric attraction’. In addition to London dispersion, such systems benefit from electrostatic stabilization, which arises from a short-range effect of charge penetration and gets bigger with increasing steric bulk. In the present work, we quantify this contribution for a diverse set of molecular cores, ranging from unsubstituted benzene and cyclohexane to their derivatives carrying tert-butyl, phenyl, cyclohexyl and adamantyl substituents. While the importance of electrostatic interactions in the dimers of sp2-rich (e.g., π-conjugated) cores is well appreciated, less polarizable assemblies of sp3-rich systems with multiple short-range CH···HC contacts between the bulky cyclohexyl and adamantyl moieties are also significantly influenced by electrostatics. Charge penetration is drastically larger in absolute terms for the sp2-rich cores, but still has a non-negligible effect on the sp3-rich dimers, investigated herein, both in terms of their energetics and equilibrium interaction distances. These results emphasize the importance of this electrostatic effect, which has so far been less recognized in aliphatic systems compared to London dispersion, and are therefore likely to have implications for the development of force fields and methods for crystal structure prediction.

scholarly journals Non-Covalent Interactions Atlas Benchmark Data Sets 2: Hydrogen Bonding in an Extended Chemical Space

2020 ◽  
Author(s):  
Jan Řezáč
Keyword(s):  
Hydrogen Bonding ◽  
Organic Molecules ◽  
Chemical Space ◽  
Data Sets ◽  
Data Set ◽  
Benchmark Data ◽  
Non Covalent Interactions ◽  
Dissociation Curves ◽  
New Generation ◽  
Covalent Interactions

The Non-Covalent Interactions Atlas (www.nciatlas.org) aims to provide a new generation of benchmark data sets for non-covalent interactions. The HB300SPX data set presented here extends the coverage of hydrogen bonds to phosphorus, sulfur and halogens up to iodine. It is again complemented by a set of dissociation curves, HB300SPX×10. The new data make it possible to analyze the transferability of the parametrization of e.g. dispersion corrections for DFT from simple organic molecules to a broader chemical space. The HB300SPX×10 has also been used for the extension of the parametrization of hydrogen-bonding corrections in the semiempirical PM6-D3H4X and DFTB3-D3H5 methods to additional elements.<br>

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