Encapsulation of small fullerenes into nitrogenated holey nanotubes: a density functional theory study

Encapsulation of fullerene into nanotubes based on a C₂N sheet, known as nitrogenated holey graphene, was investigated using density functional theory. The structural and electronic properties of these carbon hybrid materials, consisting of nitrogenated holey nanotubes and a small C₂₀ fullerene, were studied. The formation energies showed that encapsulation of the fullerene into the nitrogenated holey nanotube is an exothermic process. To characterise the electronic properties, the electronic band structure and density of states of armchair and zigzag nitrogenated holey nanotubes were calculated. Filling these nanotubes with the C₂₀ fullerene resulted in a p-type semiconducting character. The energy band gap of the nitrogenated holey nanotubes decreased with fullerene encapsulation. The results are indicative of the possibility of band gap engineering by encapsulation of small fullerenes into nitrogenated holey nanotubes.     

Structural Snapshots of Cluster Growth from {U6} to {U38} During the Hydrolysis of UCl4

Herein we report the assembly of large uranium(IV) clusters with novel nuclearities and/or shapes from the controlled hydrolysis of UCl₄ in organic solution and in the presence of the benzoate ligands. {U₆}, {U₁₃}, {U₁₆}, {U₂₄}, {U₃₈} oxo and oxo/hydroxo clusters were isolated and crystallographically characterized. These structural snapshots indicate that larger clusters are slowly built from the condensation of octahedral {U₆} building blocks. The uranium/benzoate ligand ratio, the reaction temperature and the presence of base play an important role in determining the structure of the final assembly. Moreover, the isolation of different size cluster {U₆} (few hours), {U₁₆} (3 days), {U₂₄} (21 days) from the same solution in a chosen set of conditions shows that the assembly of uranium oxo clusters in hydrolytic conditions is time dependent.     

Fabrication of PECVD-grown fluorinated hydrocarbon nanoparticles and circular nanoring arrays using nanosphere lithography

Nanosphere lithography (NSL) masks were created by spin-coating of polystyrene particles onto silicon surfaces. Fluorinated hydrocarbon films were coated on the nanosphere lithography masks using plasma-enhanced chemical vapor deposition (PECVD) to obtain ordered arrays of fluorinated hydrocarbon. Atomic force microscope images show hexagonally ordered nanodots of dimension 225 ± 11 nm with a height of 23 ± 4 nm. Every hexagon encloses a circular ring of diameter 540 ± 24 nm having a height and width of 13.5 ± 0.6 nm and 203 ± 16 nm, respectively. FTIR analysis shows two distinct zones of atomic bonding of CH_x and CF_x in the plasma coated ordered fluorinated hydrocarbon films.     

β-Cyclodextrin-grafted magnetic graphene oxide nanocomposites in ultrasound-assisted dispersive magnetic solid-phase extraction for simultaneous preconcentration of lead and cadmium ions

Research on Chemical Intermediates - This article presents an ultrasound-assisted dispersive magnetic solid-phase extraction method (USA-DMSPE) to preconcentration Cd(II) and Pb(II) simultaneously....     

Synthesis of Tetraarylethene Luminogens by C−H Vinylation of Aromatic Compounds with Triazenes

Tetraarylethenes are obtained by acid-induced coupling of vinyl triazenes with aromatic compounds. This new C−H activation route for the synthesis of aggregation-induced emission luminogens is simple, fast, and versatile. It allows the direct grafting of triarylethenyl groups onto a variety of aromatic compounds, including heterocycles, supramolecular hosts, biologically relevant molecules, and commercial polymers.     

Synthesis,Hirshfeld surface analysis,luminescence and thermal properties of three first-row transition metal complexes containing 4′-hydroxy-2,2′:6′,2″-terpyridine: Application for preparation of nano metal oxides

A series of new mono- and bis-terpyridine complexes [Mn(tpyOH)Cl₂] ( 1 ), [Ni(tpyOH)₂](PF₆)₂ ( 2 ) and [Zn(tpyO)(η¹-OCOCH₃)(H₂O)]⋅3H₂O ( 4 ) containing 4′-hydroxy-2,2′:6′,2″-terpyridine (tpyOH) were synthesized and structurally characterized using elemental analysis, infrared spectroscopy and single-crystal X-ray diffraction. The reaction of MnCl₂ with tpyOH in a mixture of methanol and CH₂Cl₂ resulted in the formation of 1 . The X-ray crystal structure of 1 reveals that Mn(II) is penta-coordinated by three nitrogen atoms from tpyOH and two Cl⁻ in a slightly distorted trigonal bipyramidal geometry. Complex 2 was also prepared by the reaction of nickel(II) chloride with tpyOH in a methanolic medium in the presence of NH₄PF₆. Notably, the complex [Ni(tpyOH)(tpyO)]PF₆ ( 3 ), obtained during the crystallization of 2 from dichloromethane, was characterized using X-ray crystallography which shows that six nitrogen atoms from terpyridine ligands occupy the coordination sites around the Ni(II) centre in a distorted octahedral geometry with four longer bonds and two shorter Ni N bonds. The reaction of zinc(II) acetate with tpyOH in a mixture of methanol and CH₂Cl₂ led to the formation of 4 . The crystal structure of 4 reveals the formation of penta-coordinated Zn(II) complex containing three nitrogen atoms from tpyO, a monodentate acetate ligand and one coordinated water molecule. Hirshfeld surface analyses and two-dimensional fingerprint plots show that the main interactions are O…H/H…O contacts in 1 , 3 and 4 . The thermal decomposition reactions of 1 , 2 and 4 were studied using thermogravimetric analysis in detail due to their different structures. The solution luminescence features of 1 , 2 and 4 include high-energy intense π → π* intraligand and low-energy metal-to-ligand charge transfer transitions at room temperature. The calcination of the coordination complexes led to the formation of corresponding nano metal oxides. The products were structurally characterized using infrared spectroscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy. The average particle size using Scherrer's equation was calculated to be below 50 nm.     

Comparative Study of the Supercapacitive Performance of Three Ferrocene-Based Structures: Targeted Design of a Conductive Ferrocene-Functionalized Coordination Polymer as a Supercapacitor Electrode

As redox-active based supercapacitors are known as highly desirable next-generation supercapacitor electrodes, the targeted design of two ferrocene-functionalized (Fc(COOH)₂) clusters based on coinage metals, [(PPh₃)₂AgO₂CFcCO₂Ag(PPh₃)₂]₂ ⋅ 7 CH₃OH (SC₁: super capacitor) and [(PPh₃)₃CuO₂CFcCO₂Cu(PPh₃)₃] ⋅ 3 CH₃OH (SC₂), is reported. Both structures are fully characterized by various techniques. The structures are utilized as energy storage electrode materials, giving 130 F g⁻¹ and 210 F g⁻¹ specific capacitance at 1.5 A g⁻¹ in Na₂SO₄ electrolyte, respectively. The obtained results show that the presence of Cu^I instead of Ag^I improves the supercapacitive performance of the cluster. Further, to improve the conductivity, the PSC₂ ([(PPh₃)₂CuO₂CFcCO₂]_∞), a polymeric structure of SC₂, was synthesized and used as an energy storage electrode. PSC₂ displays high conductivity and gives 455 F g⁻¹ capacitance at 3 A g⁻¹. The PSC₂ as a supercapacitor electrode presents a high power density (2416 W kg⁻¹), high energy density (161 Wh kg⁻¹), and long cycle life over 4000 cycles (93 %). These results could lead to the amplification of high-performance supercapacitors in new areas to develop real applications and stimulate the use of the targeted design of coordination polymers without hybridization or compositions with additive materials.     

Application of a novel nano-immobilization of ionic liquid on an MCM-41 system for trimethylsilylation of alcohols and phenols with hexamethyldisilazane

Research on Chemical Intermediates - 3-[(3-(Trisilyloxy)propyl)chloride]-1-methylimidazolium tribromide ionic liquid supported on MCM-41 [nano-MCM-41@(CH2)3-1-methylimidazole]Br3 as a novel...     

A ternary hybrid system based on combination of mesoporous silica,heteropolyacid and double-layered clay: an efficient catalyst for the synthesis of 2,4-dihydro-3H-pyrazol-3-ones and pyranopyrazoles in aqueous medium: studying the effect of the synthetic procedure on the catalytic activity

Research on Chemical Intermediates - SBA/hydrotalcite/heteropolyacid nanocomposite is synthesized via a novel procedure in which the as-prepared heteropolyacid-loaded SBA-15 was impregnated with...