https://ogma.newcastle.edu.au/vital/access/ /manager/Index ${session.getAttribute("locale")} 5 Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-kappa N-2(3),S]copper(II): crystal structure and Hirshfeld surface analysis https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:48357 Wed 14 Feb 2024 15:46:34 AEDT ]]> The crystal structures of 3-O-benzyl-1,2-O-isopropylidene-5-O-methanesulfonyl-6-O-triphenylmethyl-α-D-glucofuranose and its azidedisplacement product https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:36223 Wed 11 Mar 2020 11:08:42 AEDT ]]> Two-dimensional mapping of chemical information at atomic resolution https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:3508 Wed 11 Apr 2018 15:06:23 AEST ]]> Effect of graphene oxide (GO) on the morphology and microstructure of cement hydration products https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:31128 Tue 28 Jan 2020 16:23:50 AEDT ]]> High-pressure crystallography of rhombohedral PrAlO₃ perovskite https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:8172 Sat 24 Mar 2018 08:36:05 AEDT ]]> Observations on the crystal structures of lueshite https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:17484 Sat 24 Mar 2018 08:04:11 AEDT ]]> The electronic structure of tungsten oxide thin films prepared by pulsed cathodic arc deposition and plasma-assisted pulsed magnetron sputtering https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:5408 Sat 24 Mar 2018 07:48:18 AEDT ]]> Palladium(II) as a versatile template for the formation of tetraaza macrocycles via Mannich-type reactions https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:383 Sat 24 Mar 2018 07:42:31 AEDT ]]> Crystallization-induced amide bond formation creates a boron-centered spirocyclic system https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:30695 15H₁₀BN₂O₆) is formed under crystallization conditions from the 5-nitrosalicylate ester of 2-aminophenylboronic acid. The boron at the center of this structure exists as a tetrahedral complex produced by a dative bond with the amide carbonyl. The perpendicular shape produces an unusual packing structure including a bifurcated hydrogen bond between the amide hydrogen and carbonyl groups on two neighboring molecules. We propose that this reaction occurs due to increased Lewis acidity of the nitrosalicylate ester of 2-aminophenylboronic acid.]]> Sat 24 Mar 2018 07:35:07 AEDT ]]> Crystal structures of (3R,3aR,4S,7R,7aS)-3-(Allyloxy)hexahydro-4,7-epoxyisobenzofuran-1(3H)-one and (3S,3aR,4S,7R,7aS)-3-((E)-But-2-en-1-yloxy)hexahydro-4,7-epoxyisobenzofuran-1(3H)-one: confirmation of NMR predicted stereocentre geometry https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:22284 Sat 24 Mar 2018 07:17:40 AEDT ]]> Crystal structures, electrical properties, and electron energy-loss spectroscopy of the sodium and potassium tetragonal tungsten bronzes https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:38283 xWO₃) are non-stoichiometric metal oxides which have attracted interest for their potential applications in plasmonics. Although the cubic structures of the sodium tungsten bronzes (Na_xWO₃) have been extensively studied, reports into the tetragonal-II structures (TII-) of any tungsten bronze are comparatively rare. In this work, TII-Na_xWO₃ and TII-K_xWO₃ were prepared by a furnace-assisted method, and characterised by X-ray and neutron powder diffraction, selected-area electron diffraction and electron energy-loss spectroscopy (EELS). A structural determination of TII-NaxWO3 was performed in the space group >I4∕m, in a √2 ✕ √2 ✕ 2 supercell of the P4∕mbm TII-K_xWO₃ structure. Density functional theory is then used to calculate the valence electronic structure and optical properties to support the EELS measurements. Similar to the cubic structures, the conduction band of TII- is composed of hybridised O 2p and W 5d states, which is filled by electrons donated from the inserted Na or K. The O sites which are in-plane with the W sites are found to have highly localised bands, resulting in low-energy interband transitions in the a∕b direction of the unit cell. In contrast, purely free-electron behaviour is observed in the c-direction below 2 eV. High-quality plasmon resonances are thus only observed in the c-direction, with energy and quality similar to those of the cubic structures. These anisotropic optical properties make TII-Na_xWO₃ and TII-K_xWO₃ interesting materials for further study as potential plasmonic materials.]]> Mon 29 Jan 2024 18:47:32 AEDT ]]> Crystal structure of 6-azido-6-deoxy-1,2-O-isopropylidene-a-D-glucofuranose https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:39057 Fsp³ index natural-product analogues such as iminosugars are of paramount importance in the investigation of their biological activities and reducing the use of protecting groups is an advantageous synthetic strategy. An isopropylidene group was employed towards the synthesis of seven-membered ring iminosugars and the title compound, C₉H₁₅N₃O₅, was crystallized as an intermediate, in which the THF ring is twisted and the dioxolane ring adopts an envelope conformation: the dihedral angle between the rings is 67.50 (13)°. In the crystal, the hydroxyl groups participate in O—H...(O,O) and O—H...N hydrogen-bonding interactions, which generate chains of molecules propagating parallel to the a-axis direction. There is a notable non-classical C—H...O hydrogen bond, which cross-links the [100] chains into (001) sheets.]]> Mon 02 May 2022 15:27:38 AEST ]]>