Efficient synthesis of porous triazine-based macrocycles with 22-carbon and 6-nitrogen ring atoms and their adsorption/desorption of non-volatile organic compounds.

Porous triazine-based macrocycles with 22-carbon and 6-nitrogen ring atoms were efficiently synthesized and used for adsorbing bisphenol A, sulfamethoxazole, sodium dodecyl sulfate, and polyoxyethylene laural ether from aqueous media; after adsorption, simple extraction to desorb the guests from these porous macrocycles demonstrates a facile and efficient approach for porous materials to adsorb and desorb non-volatile organic compounds, thus being potentially applied to other surfactants or antibiotics.

Highly Substituted Acephenanthrylenes and Their π-Extended Derivatives: Syntheses, Structural Analyses, and Properties.

This investigation demonstrates that a series of (highly) substituted acephenanthrylenes (APs) , benzo[]acephenanthrylene , and dicyclopenta[,]pyrene are easily prepared by palladium-catalyzed cycloaromatization of 2,3-diethynylbiphenyls . The first nonpyrolysis synthesis of by two-fold cycloaromatization was achieved in a high yield. This synthetic protocol has two crucial advantages: facile introduction of various substituents and efficient extension of the AP backbone.

Metal-Ion-Induced Mechanical Chirality: Achiral Rotaxane as the Only Ligand in Chiral Palladium(II)-N-Heterocyclic Carbene Complexes.

We report the insertion of Pd(II) into an originally achiral rotaxane producing two chiral metallorotaxanes: one is planar-chiral, with its two interlocked components both chelating nonequivalently to the metal center; the other is -symmetrical-chiral, with the dynamically exchangeable stereogenic units stabilized by the interlocked structure. Chiral additives confirmed the existence of chirality, with the enantiomers of the -symmetrical N-heterocyclic carbene complex being resolved using chiral TRISPHAT counteranions.

Evaluation of RevX solution extract as a potential inhibitor of the main protease of SARS-CoV-2- study and molecular docking.

The main protease (M) of SARS-CoV-2 is a protease necessary for viral polyprotein processing and maturation. M cleaves the polypeptide sequence after the glutamine residues. There is no known cellular protease with this substrate specificity in humans; therefore, it is considered an attractive drug target.

Converting non-Mesogenic to Mesogenic Stacking of Amino--Triazine-Based Dendrons with -CN Phenyl Unit by Eliminating Peripheral Dipole.

Three new amino--triazine-based dendrons, , , and , containing an aryl-CN moiety in the dendritic skeleton were prepared in 72-81% yields (: R = - N(-CH), R = -OCH, : R = R = - N(-CH), : R = - N(-CH), R = - N(-CH)). Dendrons with N(-CH) and -OCH peripheral substituents, surprisingly, did not show any mesogenic phase during the thermal process. However, non-mesogenic can be converted to mesogenic or by eliminating the peripheral dipole arising from the alkoxy substituent; dendron only comprising the same N(-CH) peripheral groups showed a ~25 °C mesogenic range on heating and ~108 °C mesogenic range on cooling.

Adsorbing Volatile Organic Chemicals by Soluble Triazine-Based Dendrimers under Ambient Conditions with the Adsorption Capacity of Pyridine up to 946.2 mg/g.

Two triazine-based dendrimers with peripheral 1,3,5-triamidobenzene (1-3-5-TAB) functionality were prepared, and their void spaces in the bulk solid were investigated. We examined dendrimers of three core lengths and determined the one with the longest core exhibits the largest void space because the peripheral amides were not imbedded in the internal space of each dendritic molecule. The new dendrimers as solids were observed to adsorb volatile organic chemicals efficiently.

Electric-Field-Induced Chirality in Columnar Liquid Crystals.

We describe a novel class of tetraphenylbenzene-based discotic molecules with exceptional self-assembling properties. Absorption and fluorescence studies confirmed the formation of -type aggregates in solution. The discotic mesogens also show an enhancement of the emission upon aggregation.

Versatile Pt(II) Pyrazolate Complexes: Emission Tuning via Interplay of Chelate Designs and Stacking Assemblies.

Three homoleptic Pt(II) metal complexes [Pt(imz)] (), [Pt(imz)] (), and [Pt(imz)] () were synthesized from the treatment of Pt(DMSO)Cl and functional imidazolyl pyrazole in refluxing tetrahydrofuran (THF). Alternatively, the heteroleptic Pt(II) complexes [Pt(imz)(fppz)] (), [Pt(imz)(fppz)] (), and [Pt(imz)(fppz)] () were obtained from the treatment of a common intermediate [Pt(fppzH)Cl] with a corresponding imidazolyl chelate. Pt(II) complexes , , and were studied by single-crystal X-ray diffraction to reveal the corresponding packing arrangement in their crystal lattices, among which both homoleptic complexes and formed monomeric species, while heteroleptic aligned as a dimer with a nonbonding Pt···Pt contact of 3.

Probe exciplex structure of highly efficient thermally activated delayed fluorescence organic light emitting diodes.

The lack of structural information impeded the access of efficient luminescence for the exciplex type thermally activated delayed fluorescence (TADF). We report here the pump-probe Step-Scan Fourier transform infrared spectra of exciplex composed of a carbazole-based electron donor (CN-Cz2) and 1,3,5-triazine-based electron acceptor (PO-T2T) codeposited as the solid film that gives intermolecular charge transfer (CT), TADF, and record-high exciplex type cyan organic light emitting diodes (external quantum efficiency: 16%). The transient infrared spectral assignment to the CT state is unambiguous due to its distinction from the local excited state of either the donor or the acceptor chromophore.

3D and 2D supramolecular assemblies and thermotropic behaviour of a carbo-benzenic mesogen.

Hexaalkoxy-di(phenylethynyl)-tetraphenyl-carbo-benzenes bearing six CH aliphatic chains (n = 12, 18) have been synthesized and characterized, including by single crystal XRD analysis. For n = 12, a liquid crystal behaviour was observed in the range of 109-130 °C. DSC, POM and PXRD analyses evidenced a rectangular columnar mesophase at 115 °C.

Converting Nonliquid Crystals into Liquid Crystals by N-Methylation in the Central Linker of Triazine-Based Dendrimers.

Two triazine-based dendrimers were successfully prepared in 60-75% yields. These newly prepared dendrimers 2a and 2b containing the -NMe(CH2)2NMe- and the -NMe(CH2)4NMe- linkers between two G3 dendrons, respectively, exhibit columnar phases during the thermal process. However, the corresponding dendrimers 1a and 1b containing the -NH(CH2)2NH- and the -NH(CH2)4NH- linkers between two G3 dendrons, respectively, do not show any LC phases on thermal treatment.

Polynuclear Silver(I) Triazole Complexes: Ion Conduction and Nanowire Formation in the Mesophase.

Examples of polynuclear metallomesogens are few. Herein,1,2,4-triazole ligands were used to prepare mono- and polynuclear silver(I) triazole metallomesogens. Besides showing an SmA phase in the mesophase, two interesting properties were observed.

An Unconventional Approach to Induce Liquid-Crystalline Phases of Triazine-Based Dendrons by Breaking Their Self-Assembly into Dimers.

Three triazine-based dendrons (1 a-c) were successfully prepared in 70-83 % yields. These newly prepared dendrons are found to be liquid crystalline (LC). Computational investigations on molecular conformations and dipoles of triazine-based dendrons reveal that the substituent on the central triazine unit interrupts strong dipole or H-bond interactions to avoid dimeric formation.

Regioselective synthesis of tetraphenyl-1,3-butadienes with aggregation-induced emission.

In the presence of substoichiometric amounts of Co2(CO)8, internal bisarylalkynes undergo reductive dimerization with good to excellent yields. The Co2(CO)8-induced reactions described are experimentally quite simple and provide a very useful synthetic procedure for the synthesis of tetraphenylbutadienes which exhibit aggregation-induced emission enhancement, i.e.

Biaxial aromatics with face-on/edge-on stacking adaptability: an STM/STS study of 1D nanowires assembled via rotatable ethynyls.

Scanning tunnelling microscopy/spectroscopy reveals significant electronic communications between edge-on biphenyl moieties of a benzene core derivatised biaxially with four ethynyl-biphenyls. The key to the successful assembly of conjugated 1D nanowires is the rotatable features of ethynyls, which allow dual adaptability of edge-on and face-on orientations for the aromatic rings.

A small change in central linker has a profound effect in inducing columnar phases of triazine-based unconventional dendrimers.

Four unconventional triazine-based dendrimers have been prepared and characterized by (1) H and (13) C NMR spectroscopies, mass spectrometry, and elemental analysis. Based on DSC studies, polarizing microscopy, and powder XRD, two of these dendrimers, containing linkers with an odd number of carbon atoms, were observed to display columnar liquid-crystalline phases during thermal treatment. However, the other two dendritic analogues, containing linkers with an even number of carbon atoms, were not observed to behave correspondingly.

Facile catch and release of fullerenes using a photoresponsive molecular tube.

A novel M2L2 molecular tube capable of binding fullerene C60 was synthesized from bispyridine ligands with embedded anthracene panels and Ag(I) hinges. Unlike previous molecular cages and capsules, this open-ended tubular host can accommodate a single molecule of various C60 derivatives with large substituents. The fullerene guest can then be released by using the ideal, noninvasive external stimulus, light.

Electrical pulse triggered reversible assembly of molecular adlayers.

Reversible adlattice assembly for alkoxy-decorated aromatics is controllable by short electrical pulses.

Induction of the columnar phase of unconventional dendrimers by breaking the C2 symmetry of molecules.

Two triazine-based unconventional dendrimers were prepared and characterized by (1)H and (13)C NMR spectroscopy, mass spectrometry, and elemental analysis. Differential scanning calorimetry, polarizing microscopy, and powder XRD studies showed that these dendrimers display columnar liquid-crystalline phases during thermal treatment. This is ascribable to breaking of their C(2) symmetry.

Enantiotropic nematics from cross-like 1,2,4,5-tetrakis(4'-alkyl-4-ethynylbiphenyl)benzenes and their biaxiality studies.

The theoretically predicted optimum length/breadth/width ratio for maximizing shape biaxiality was investigated experimentally by the facile and successful synthesis of cross-shaped compound 3, which showed enantiomeric nematic phase behavior. This cross-like core structure could alternatively be viewed as two fused V-shaped mesogens, which have recently immerged as a new direction in biaxial nematic research, at the bending tips that can act as a new structure for biaxial investigations. Whilst the thermal analysis data of compound 3 did not meet the expected theoretical values for biaxial nematics, surface-induced biaxiality was evidenced by optical studies.

Formation of columnar liquid crystals on the basis of unconventional triazine-based dendrimers by the C3-symmetric approach.

Two series of unconventional triazine-based dendrimers with C(2) symmetry and C(3) symmetry were prepared. The newly prepared C(3)-symmetrical dendrimers were characterized by (1)H and (13)C NMR spectroscopy, mass spectrometry, and elemental analysis. Differential scanning calorimetry, polarizing microscopy, and powder XRD showed that the C(3)-symmetrical dendrimers display columnar liquid-crystalline phases during thermal treatment, but the C(2)-symmetrical dendrimers were not observed to behave correspondingly.

Gearing of molecular swirls: columnar packing of nematogenic hexakis(4-alkoxyphenylethynyl)benzene derivatives.

Through molecular design and straightforward synthesis, incorporating an additional alkoxy chain onto various numbers of peripheral phenyls in nematogenic hexakis(4-alkoxyphenylethynyl)benzene was achieved to generate columnar phases with significantly expanded temperature ranges. For the compound with two decyloxy chains on every peripheral phenyl, scanning tunnelling microscopic studies indicate the molecule adopts a preferred molecular-swirl geometry by restricting the conformational arrangement of the alkoxy side chains. Cooperative packing of the molecular swirls by a lock-in mechanism among columns results in a stable helical column packing evidenced by powder X-ray diffraction.

Mesomorphism and luminescence properties of platinum(II) complexes with tris(alkoxy)phenyl-functionalized pyridyl pyrazolate chelates.

A series of new mesomorphic platinum(II) complexes 1-4 bearing pyridyl pyrazolate chelates are reported herein. In this approach, pyridyl azolate ligands have been strategically functionalized with tris(alkoxy)phenyl groups with various alkyl chain lengths. As a result, they are ascribed to a class of luminescent metallomesogens that possess distinctive morphological properties, such as their intermolecular packing arrangement and their associated photophysical behavior.