Interplay of Electronic Structure and Bulk Properties in 2D and 3D Ternary Carbonitrides from First Principles

The changes in electronic structure and hardness as inferred from the bulk modulus are investigated for model structures of ternary compounds XC₃N₃ (X = B, Al, P, As, Ga) within the framework of density functional theory (DFT). The optimisations of the proposed two‐ (2D) and three‐dimensional (3D) structures and the calculations of the bulk moduli are performed by a pseudo potential method. The electronic structures are calculated with the augmented sphere wave method (ASW). The obtained hardness for 2D BC₃N₃ system (B₀ ～ 220 GPa) points to a magnitude close to that of graphitic C₃N₄. For heavier X atoms it decreases rapidly. This is equally observed for the 3D systems examined in the β‐C₃N₄ structure for which B₀(β‐BC₃N₃) amounts to ～330 GPa. Within the magnitude of the well known hard material cubic BN, the BC₃N₃ phases can be predicted as candidates for ultra hard materials. The electronic effect induced by the chemical nature of the X substitutional was examined according to its position in the periodic table i.e. X_III or X_V. Both, band structures and the electron localisation function (ELF) were used for this analysis. The ELF plots show a decreasing covalency with heavier X‐atoms. Potential applications of the devised systems are proposed such as dopings with atoms (Li, rare gas) and molecules (N₂).     

(m‐CH3C6H4NH3)6P6O18

In hexakis(m‐toluidinium) cyclo­hexaphosphate, 6C₇H₁₀N⁺·­P₆O₁₈^6?, the atomic arrangement is typical of a layer structure. Layers including the centrosymmetric P₆O₁₈ ring anions develop around the (100) planes at x = . The hydrogen‐bond distribution is described.     

Cytotoxic Components from the Leaves of Schefflera Taiwaniana

The isolation and identification of eighteen components from the leaves of Schefflera taiwaniana are presented. Their structures were determined on the basis of spectral data as well as direct comparison with authentic samples. These compounds include two polyacetylenes, one carotenoid‐like, three sesquiterpenes, one diterpene, four triterpenes, two tocopherols, and five alkyl 4‐hydroxycinnamate mixtures. Among these, 4‐hydroxy‐trans‐cinnamic acid docosyl ester and 4‐hydroxy‐cis‐cinnamic acid tetracosyl ester are new compounds. Some of these components exhibit cytotoxic activity.     

Amperometric Glucose Biosensor Based on Glucose Oxidase Encapsulated in Carbon Nanotube–Titania–Nafion Composite Film on Platinized Glassy Carbon Electrode

A highly sensitive and selective glucose biosensor has been developed based on immobilization of glucose oxidase within mesoporous carbon nanotube–titania–Nafion composite film coated on a platinized glassy carbon electrode. Synergistic electrocatalytic activity of carbon nanotubes and electrodeposited platinum nanoparticles on electrode surface resulted in an efficient reduction of hydrogen peroxide, allowing the sensitive and selective quantitation of glucose by the direct reduction of enzymatically‐liberated hydrogen peroxide at ?0.1 V versus Ag/AgCl (3 M NaCl) without a mediator. The present biosensor responded linearly to glucose in the wide concentration range from 5.0×10^?5 to 5.0×10^?3 M with a good sensitivity of 154 mA M^?1cm^?2. Due to the mesoporous nature of CNT–titania–Nafion composite film, the present biosensor exhibited very fast response time within 2 s. In addition, the present biosensor did not show any interference from large excess of ascorbic acid and uric acid.     

Synthesis and Structure of 2‐Substituted Thieno[3′,2′:5,6]pyrido[4,3‐d]pyrimidin‐4(3H)‐one Derivatives

A series of new 2‐substituted 3‐(4‐chlorophenyl)‐5,8,9‐trimethylthieno[3′,2′: 5,6]pyrido[4,3‐d]pyrimidin‐4(3H)‐ones 8 were synthesized via an aza‐Wittig reaction. Phosphoranylideneamino derivatives 6a or 6b reacted with 4‐chlorophenyl isocyanate to give carbodiimide derivatives 7a or 7b , respectively, which were further treated with amines or phenols to give compounds 8 in the presence of a catalytic amount of EtONa or K₂CO₃. The structure of 2‐(4‐chlorophenoxy)‐3‐(4‐chlorophenyl)‐5,8,9‐trimethylthieno[3′,2′: 5,6]pyrido[4,3‐d]pyrimidin‐4(3H)‐one ( 8j ) was comfirmed by X‐ray analysis.     

Synthesis and Crystal Structure of a Novel Polymeric Lead(II) Compound: [Pb2(phen)2(N3)3(ClO4)]n

A 2D lead(II) coordination polymer [Pb₂(phen)₂(N₃)₃(ClO₄)]_n,( 1 ) containing 1,10‐phenanthroline (phen) and two different anions, has been synthesized and characterized by elemental analysis, IR and ¹H NMR spectroscopy and X‐ray crystallography. The single‐crystal X‐ray data show two different kinds of Pb²⁺ ions with coordination numbers of eight, Pb1 = PbN₆O₂ and Pb2 = PbN₈, with hemidirected and holodirected structures, respectively. The supramolecular features in 1 is negiotated through the weak but directional C‐H···O and C‐H···N interactions and aromatic π–π stacking interactions.