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Browsing by Author "Zhang, YJ"

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3d transition metal complexes with a julolidine–quinoline based ligand: structures, spectroscopy and optical properties
(Royal Society of Chemistry, 2015-12-07) Fanna, DJ; Zhang, YJ; Li, L; Karatchevtseva, I; Shepherd, ND; Azim, A; Price, JR; Aldrich-Wright, JR; Reynolds, JK; Li, F
A Schiff base type ligand with the combination of the julolidine and the quinoline groups has been reported as a potential chemosensor in detecting the cobalt(II) ion among other heavy and transition metal ions in solution. However, no crystal structure of such a ligand with any metal ions has been reported. In this work, its complexation with 3d transition metal ions (Mn(II), Co(II), Ni(II), Cu(II) and Zn(II)) has been investigated with five new complexes being synthesised, and spectroscopically and structurally characterised. [Mn2L2(CH3OH)2(CH3COO)2]•CH3OH (1) {HL (C22H21N3O) = ((E)-9-((quinolin-8-ylimino)methyl)-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-8-ol)} shows a dinuclear structure with two Mn : L : acetate (1 : 1 : 1) units bridged by two methanol molecules. [CoL2(NO3)]•CH3OH•H2O (2) and [NiL2]•H2O (3) exhibit mononuclear structures with a Co : L or Ni : L ratio of 1 : 2. [CuL(CH3COO)]•1/3CH3OH (4) demonstrates a mononuclear structure and the Cu ion has a square planar coordination polyhedron with a L ligand and a highly non-symmetrical acetate anion. [Zn2L2(CH3COO)2]•CH3OH (5) has two types of dinuclear units, both with two ZnL units bridged by two acetate anions but in three different bridging coordination modes. Their vibrational modes, absorption and photoluminescence properties have also been investigated. © 2016 The Partner Organisations
Coordination polymers of perylenetetracarboxylate with Cs(I) ions: 3D structures with 2D inorganic layers or triple coordination nets
(Elsevier B. V., 2023-02) Nguyen, TH; Karatchevtseva, I; Bhadbhade, MM; Zhang, YJ
The self-assembly of perylenetetracarboxylate (ptc) with Cs(I) ions at ambient temperature has been investigated with two coordination polymers being synthesized and structurally characterized. The diffusion of ethanol into a Cs-ptc solution led to the formation of compound 1 [(Cs4(ptc)(H2O)5·nH2O] displaying a compact three-dimensional (3D) structure constructed with 2D undulating layers of Cs polyhedra linked by ptc ligands in two types coordination modes. Extensive π···π interactions among stacking ptc ligands formed large hydrophobic organic channels between the inorganic layers. The addition of ethylenediamine (ED) to the reaction system afforded the formation of compound 2 [(H2ED)5Cs2(ptc)3(H2O)10] showing triple 2D coordination nets with protonated ethylene diammonium cations hydrogen-bonded to both non-bonded carboxyl oxygen and coordinated water molecules. The triple 2D nets are further linked via hydrogen bonding to form a 3D structure. The optical absorption, band gap analysis, vibrational modes and thermal stability of compound 1 were also investigated. Overall, the structural diversity was achieved in the studied self-assembly system at ambient temperature through varying Cs to ptc ratios by introducing ethylene diammonium as a non-metal cation. © 2023 Elsevier B.V.
Crystal chemistry and structures of (Ca,U) titanate pyrochlores
(Wiley-Blackwell, 2010-10-01) James, M; Carter, ML; Zhang, ZM; Zhang, YJ; Wallwork, KS; Avdeev, M; Vance, ER
Analysis of multiphase (Ca,U) titanate pyrochlore samples produced under argon or in air, using laboratory X-ray powder diffraction (XRD) and electron microscopy revealed discrete pyrochlore phase compositions, together with either perovskite or rutile impurities. Investigations of these samples using diffuse reflectance and X-ray photoelectron spectroscopies revealed mixed U4+/U5+ oxidation states for argon-annealed samples and U5+/U6+ oxidation states for air-annealed samples. Single-phase (Ca1.25U4+0.25U5+0.50)Ti2O7 (argon) and (Ca1.40U5+0.60)(Ti1.90U6+0.10)O7 (air) compositions were synthesized and characterized using a combination of synchrotron X-ray and neutron powder diffraction. Severe intensity reduction of hkl odd XRD peaks from the sample produced in air was found to be the result of U6+ sharing the Ti site. The refined crystal structures for both single-phase samples were found to be consistent with the compositions and mixed oxidation states observed by the above spectroscopic measurements. Although the normalized uranium leach rate of the argon-annealed sample was found to be approximately twice that of the air-annealed sample, in 7-day Product Consistency Test the durability of both compounds with respect to leaching by water was found to be excellent. Ca releases were in the range of 0.01–0.03 g/L and U releases were <3 × 10−5 g/L. © 2010, Wiley-Blackwell.
Crystal chemistry and structures of uranium-doped gadolinium zirconates
(Elsevier, 2013-07-01) Gregg, DJ; Zhang, YJ; Zhang, ZM; Karatchevtseva, I; Blackford, MG; Triani, G; Lumpkin, GR
A series of uranium-containing gadolinium zirconate samples have been fabricated at 1450 °C in oxidizing, inert and reducing atmospheres. X-ray diffraction, Raman spectroscopy and transmission electron microscopy have been utilized to confirm adoption of pyrochlore or defect fluorite structures. X-ray diffraction allowed determination of the bulk averaged structure while Raman spectroscopy and transmission electron microscopy were used to determine ordering at the microdomain scale. Diffuse reflectance, X-ray absorption near edge structure and X-ray photoelectron spectroscopies indicated a predominantly U6+ oxidation state for all the air-sintered samples, even when Ca2+ or A-site vacancies were incorporated to charge balance for U4+, a mixed U5+/U6+ oxidation state was found for samples sintered in argon, while a mixed U4+/U5+ oxidation state occurred for sintering under N2–3.5%H2. This demonstrates a degree of uranium oxidation state control through sintering conditions, and the potential of using gadolinium zirconates as host materials for uranium in nuclear waste applications.© 2013, Elsevier B.V.
Crystal chemistry, alpha decay damage, and geochemical alteration of brannerite and davidite
(Committee of Asia-Pacific Societies of Microscopy, 2012-02-07) Lumpkin, GR; Zhang, YJ; Leung, SHF; Ferenczy, J
To investigate the long-term stability of the uranium minerals brannerite and davidite, we have undertaken an electron microscopy study of samples from a range of geological environments worldwide. Our results indicate that both minerals are transformed to an amorphous phase after a dose of approximately 10 16 α mg-1, similar to other rare element oxide minerals. Both minerals are susceptible to alteration via interaction with hydrothermal fluids, although by different mechanisms. The U-Th-Pb chemical ages of brannerite are generally consistent with the known ages and geological histories of the host rocks. These ages are affected by U loss from altered areas and Pb loss from unaltered brannerite.
Cu (II) ion directed self-assembly of a Y8/Cu6 heterometallic coordination cage via an Y (III) metalloligand
(Elsevier, 2019-01-01) Zhang, YJ; Harman, DG; Avdeev, M; Karatchevtseva, I
A non-centrosymmetric yttrium [Y(III)] metalloligand, [Y(H3L)(NO3)]·2NO3·THF (1) {tris{[2-{(imidazole)methylidene}amino]-ethyl}amine = H3L}, was synthesized and subsequently used in a Cu(II) directed self-assembly process to form a Y8/Cu6- type heterometallic coordination cage [Cu6Y8L8(NO3)5(H2O)3]·7NO3·21H2O (2). The eight corners of the distorted cubic cage are defined by eight Y(III) ions while Cu(II) ions occupy the centers of six faces with two opposite Cu(II) ions considerably outside the faces. The asymmetric Y(III) metal centres due to the extra coordination of either water molecules or nitrate anions induce chirality in the cage, with equal numbers of both enantiomers present in the solid state. The cage formation in both solution and in the solid state was demonstrated by ESI-MS and single crystal X-ray diffraction. Magnetic property measurements indicate that cage 2 remains paramagnetic down to 2 K. In addition, vibrational modes, electronic structure and thermal stability of the coordination cage 2 have been further investigated and reported. Crown Copyright © 2018 Published by Elsevier B.V.
Cytotoxicity and structural analyses of 2,2′‐bipyridine‐, 4,4′‐dimethyl‐2,2′‐bipyridine‐ and 2‐(2′‐pyridyl)quinoxalineplatinum(II) complexes
(John Wiley and Sons, 2015-08-07) Pages, BJ; Zhang, YJ; Li, F; Sakoff, J; Gilbert, J; Aldrich-Wright, JR
Platinum anticancer complexes incorporating 2,2′-bipyridine (bpy), 4,4′-dimethyl-2,2′-bipyridine (44Me2bpy) or 2-(2′-pyridyl)quinoxaline (2pq) as polyaromatic ligands and the S,S or R,R isomer of 1,2-diaminocyclohexane as ancillary ligands in the form [Pt(PL)(AL)]2+ have been synthesised and characterised. X-ray diffraction was used to elucidate the structure and stacking behaviour of the complexes, revealing interesting properties that may impact their biological activity. Pulsed gradient spin-echo NMR experiments elucidated the aggregation behaviour of these complexes in solution. The cytotoxicity of each complex was assessed against the L1210 murine leukaemia, HT29 human colon carcinoma and U87 human glioblastoma cell lines and compared to other complexes within this class. The complexes incorporating 44Me2bpy were found to be the most potent at inhibiting cell growth with IC50 values for the S,S isomer (0.13–0.5 μM) less than that for cisplatin (0.36–11 μM), oxaliplatin (0.9–1.8 μM) or carboplatin (>50 μM). Most complexes were found to be very effective against HT29 colon carcinoma cells. © 1999-2020 John Wiley & Sons, Inc.
Diffuse reflectance and x-ray photoelectron spectroscopy of uranium in ZrO2 and Y2Ti2O7.
(Elsevier, 2010-05-01) Vance, ER; Zhang, YJ; Zhang, ZM
Diffuse reflectance measurements were made over the wavenumber range of 4000–20,000 cm−1 at room temperature on monoclinic and stabilised ZrO2, together with Y2Ti2O7 having the pyrochlore structure, all of which were doped with U and sintered in various atmospheres. X-ray photoelectron spectroscopy measurements were also carried out on selected samples. In monoclinic and stabilised zirconia, U exhibited valence states of +4 and/or +5, depending on the sintering atmosphere and the presence of appropriate charge compensators. Using both diffuse reflectance and X-ray photoelectron spectroscopy, U was also observed as mainly U4+ and/or U5+ in U-doped Y2Ti2O7 sintered at 1400°C in air or Ar, although a small amount of U6+ also appeared to be present in some U-doped Y2Ti2O7 samples heated in air. © 2010, Elsevier Ltd.
Dinuclear complexes of europium(III) and gadolinium(III) ions with a julolidine–quinoline-based tridentate ligand
(Taylor and Francis Online, 2016-06-13) Fanna, DJ; Zhang, YJ; Salih, A; Reynolds, JK; Li, F
The reaction of europium(III) or gadolinium(III) acetates with a Schiff base ligand {HL (C22H21N3O) = ((E)-9-((quinolin-8-ylimino)methyl)-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-8-ol)} in methanol affords two dinuclear complexes which have been characterized by powder X-ray diffraction, Raman spectroscopy, scanning electron microscope–electron dispersive spectroscopy, absorption and emission spectroscopies as well as single-crystal X-ray diffraction. [Eu2L2(CH3COO)4(CH3OH)2] (1) and [Gd2L2(CH3COO)4(CH3OH)2] (2) are iso-structures, each consisting of two M : L : CH3COO : CH3OH (1 : 1 : 1 : 1) units bridged by two acetate anions with the metal center in a distorted capped square antiprismatic coordination geometry. Their vibration modes, electronic structures, and photoluminescent properties are reported. © 2016 Taylor & Francis Group
Dioxo-vanadium(V), oxo-rhenium(V) and dioxo-uranium(VI) complexes with a tridentate Schiff base ligand
(Royal Society of Chemistry, 2016-08-03) Zhang, YJ; Fanna, DJ; Shepherd, ND; Karatchevtseva, I; Lu, KT; Kong, L; Price, JR
The complexation of a julolidine–quinoline based tridentate ligand with three oxo-metal ions, dioxo-vanadium(V), oxo-rhenium(V) and dioxo-uranium(VI), has been investigated with four new complexes being synthesised and structurally characterised. (VO2L)·2/3H2O (1) {HL (C22H21N3O) = ((E)-9-((quinolin-8-ylimino)methyl)-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-8-ol)} has a VO2L neutral mononuclear structure with a five-fold coordinated vanadium metal centre in a distorted trigonal bipyramidal geometry. (ReOL2)2(ReCl6)·7DMF (2) [DMF = dimethylformamide] exhibits a mixed valent rhenium complex with a (ReOL2)+ cationic unit in a distorted octahedral metal coordination geometry, charge balanced with (ReCl6)2− anions. [(UO2)L(H2O)2]2·2(NO3)·HL·4H2O (3) and [(UO2)L(CH3OH)2](NO3)·CH3OH (4) both have (UO2L)+ cationic mononuclear structures with either coordinated water or methanol molecules in pentagonal bipyramidal coordination geometries for the uranium metal centres. Intra-/intermolecular interactions including hydrogen bonding and π–π interactions are common and have been discussed. In addition, optical absorption and photoluminescence properties have been investigated. © 2016 The Royal Society of Chemistry
Dysprosium complexes with mono-/di-carboxylate ligands—from simple dimers to 2D and 3D frameworks
(Elsevier, 2014-11-01) Zhang, YJ; Bhadbhade, MM; Scales, N; Karatchevtseva, I; Price, JR; Lu, KT; Lumpkin, GR
Four dysprosium (Dy) single carboxylates, a formate, a propionate, a butyrate and an oxalate have been synthesized and structurally characterized. The structure of Dy(HCO2)3 (1) contains nine-fold coordinated Dy polyhedra in perfect tricapped trigonal prisms. They are linked through trigonal O atoms forming 1D pillars which are further linked together through tricapped O atoms into a 3D pillared metal organic framework. The network structure is stable up to 360 °C. The structure of [Dy2(C2O4)3(H2O)6]·2.5H2O (2) contains nine-fold coordinated Dy polyhedra linking together through μ2-bridging oxalate anions into a 2D hexagonal layered structure. Both [Dy2(Pr)6(H2O)4]·(HPr)0.5 (3) [Pr=(C2H5CO2)−1] and [Dy2(Bu)6(H2O)4] (4) [Bu=(C3H7CO2)−1] have similar di-nuclear structures. The Raman vibration modes of the complexes have been investigated. © 2016 Elsevier B.V.
Exploring the influence of pH on the structural intricacies of uranium oxide hydrates containing both Cd(ii) and K(i) ions
(Royal Society of Chemistry, 2023-05-28) Ablott, TA; Lu, KT; Wei, T; Zhang, YJ
We report the synthesis of two new dual-cation uranium oxide hydrate (UOH) materials, containing both Cd2+ and K+ ions, along wxrith their characterisation by means of single-crystal X-ray diffraction and a range of other structural and spectroscopic techniques. The materials were found to differ in structures, topology and uranium to cation ratios, with the layered UOH-Cd crystallising in a plate morphology and containing a U : Cd : K ratio of 3 : 1.5 : 1. Conversely, the framework-type UOF-Cd incorporates much less Cd, with a U : Cd : K ratio of 4.4 : 0.2 : 1 and is found as needle-like crystals. A common feature in both structures is the presence of β-U3O8 type layers with a distinct uranium centre which lacks the expected uranyl bonds, highlighting the importance of the β-U3O8 layer in the subsequent self-assembly and preferential formation of a variety of structural types. Most importantly, by exploiting the additional flexibility provided by monovalent cation species (i.e., K+) as secondary metal cations to synthesise these novel dual-cation materials, this work highlights the potential for broadening the scope of viable synthetic UOH phases towards furthering the understanding of these systems in their roles as alteration products in the surrounds of spent nuclear fuel in deep geological repositories. © The Authors - Open Access CC BY Licence
Formation of (Cr,Al)UO4 from doped UO2 and its influence on partition of soluble fission products
(Elsevier, 2013-11-01) Cooper, MWD; Gregg, DJ; Zhang, YJ; Thorogood, GJ; Lumpkin, GR; Grimes, RW; Middleburgh, SC
CrUO4 and (Cr, Al)UO4 have been fabricated by a sol–gel method, studied using diffraction techniques and modelled using empirical pair potentials. Cr2O3 was predicted to preferentially form CrUO4 over entering solution into hyper-stoichiometric UO2+x by atomic scale simulation. Further, it was predicted that the formation of CrUO4 can proceed by removing excess oxygen from the UO2 lattice. Attempts to synthesise AlUO4 failed, instead forming U3O8 and Al2O3. X-ray diffraction confirmed the structure of CrUO4 and identifies the existence of a (Cr, Al)UO4 phase for the first time (with a maximum Al to Cr mole ratio of 1:3). Simulation was subsequently used to predict the partition energies for the removal of fission products or fuel additives from hyper-stoichiometric UO2+x and their incorporation into the secondary phase. The partition energies are consistent only with smaller cations (e.g. Zr4+, Mo4+ and Fe3+) residing in CrUO4, while all divalent cations are predicted to remain in UO2+x. Additions of Al had little effect on partition behaviour. The reduction of UO2+x due to the formation of CrUO4 has important implications for the solution limits of other fission products as many species are less soluble in UO2 than UO2+x. © 2013, Elsevier B.V.
Hydrothermal synthesis, structures and properties of two uranyl oxide hydroxyl hydrate phases with Co(II) or Ni(II) ions
(Royal Society of Chemistry., 2016-04-11) Zhang, YJ; Čejka, J; Lumpkin, GR; Tran, TT; Aharonovich, I; Karatchevtseva, I; Price, JR; Scales, N; Lu, KT
Two new iso-structured uranyl oxide hydroxyl hydrate (UOH) phases with the incorporation of cobalt(II) or nickel(II) ions have been synthesised under hydrothermal conditions and structurally characterised. Both K4Co(OH)3(H2O)9[(UO2)12(O)7(OH)13] (1) and K4Ni(OH)3(H2O)9[(UO2)12(O)7(OH)13] (2) have two-dimensional (2D) polymeric uranyl oxohydroxyl layers with either potassium and hydroxyl cobalt(II) (1) or potassium and hydroxyl nickel(II) (2) ions between layers via uranyl–cation interactions. This work highlights the feasibility of making new UOH phases via a hydrothermal route at relatively higher solution pHs. It also demonstrates that other transition metal ions which are readily available in the environment may also be incorporated into such UOH phases during the natural weathering of uraninite as well as during the storage and disposal of spent nuclear fuels. © 2016 The Royal Society of Chemistry
Immobilisation of cations and anions in geopolymers
(Materials Science and Technology (MS&T), 2007-09-16) Vance, ER; Perera, DS; Aly, Z; Walls, P; Zhang, YJ; Cassidy, DJ; Griffith, CS
In situ electrochemical etching and examination by SPM of titanate ceramics
(Australian Society for Electron Microscopy, 2002-02-04) Thorogood, GJ; Short, KT; Zhang, YJ
The aqueous durability of titanate related ceramics is of great importance for the immobilisation of high level radioactive waste-in order to observe the reaction progress at the solid-liquid interface of these durable ceramics, we have attempted to accelerate the dissolution process via electrochemical means by using a SPM cell with electrochemical capability. The experiment involves placing a titanate ceramic disk (with flat polished surfaces) in the electrochemical cell. The cell is then set up with the ceramic acting as one electrode and another electrode being placed in the solution. In a flow through cell it is possible to select the pH and observe the change, not only in surface morphology as dissolution occurs, but also the frictional characteristics of the surface. The SPM tip plays no role in the electrochemical reaction. We will be presenting results from our work and discussing possible mechanisms for dissolution and future directions of the work. ©2002 Australian Society for Electron Microscopy Inc
The incorporation of neptunium and plutonium in thorutite (ThTi2O6)
(Elsevier, 2013-12-25) Zhang, YJ; Gregg, DJ; Lumpkin, GR; Begg, BD; Jovanovic, M
The incorporation of neptunium (Np) and plutonium (Pu) into the brannerite structured lattice was studied using thorutite (ThTi2O6) as host lattice and sintering in air. The uncompensated Np and Pu doped samples and the low Y-charge compensated Np and Pu doped samples showed main phases as designed together with trace amounts of rutile. Those samples with larger amounts of Y produced yttrium pyrochlores as an additional minor phase. XRD analyses reveal anisotropic changes of the cell parameters; the a-parameter contracts while b- and c-parameters expand with mean cationic radius. This is in reasonable agreement with previous experimental data on ThTi2O6 and Ce0.975Ti2O5.95. Attempts to form Np or Pu valences >4+ by adding Y as a charge compensator were unsuccessful, suggesting that tetravalent Np and Pu ions are favoured in air-fired thorutite. © 2013, Elsevier B.V.
The incorporation of plutonium in lanthanum zirconate pyrochlore
(Elsevier, 2013-11-01) Gregg, DJ; Zhang, YJ; Middleburgh, SC; Conradson, SD; Triani, G; Lumpkin, GR; Vance, ER
The incorporation of plutonium (Pu) within lanthanum zirconate pyrochlore was investigated using air, argon, and N2–3.5%H2 sintering atmospheres together with Ca2+ and Sr2+ incorporation for charge compensation. The samples have been characterised in the first instance by X-ray diffraction (XRD), scanning electron microscopy (SEM) and diffuse reflectance spectroscopy (DRS). The results show Pu can be exchanged for La3+ on the A-site with and without charge compensation and for Zr4+ on the B-site. DRS measurements were made over the wavenumber range of 4000–19,000 cm−1 and the Pu in all air- and argon-sintered samples was found to be present as Pu4+ while that in samples sintered in N2–3.5%H2 was present as Pu3+. The Pu valence was confirmed for three of the samples using X-ray near-edge absorption spectroscopy (XANES). Pu valences >4+ were not observed in any of the samples. © 2013, Elsevier B.V.
An investigation of LnUO4 (Ln = Dy and Ho): structures, microstructures, uranium valences and magnetic properties
(Elsevier, 2021-09-12) Lu, KT; Zhang, YJ; Wei, T; Zhang, ZM; Avdeev, M; Zheng, RK
The phase formation, structures, microstructures, uranium valences and magnetic properties of LnUO4 (Ln = Dy and Ho) were investigated. Although sintering of the precursors in argon at 1450 °C for seven days and 1400 °C for six hours both resulted in the desired phase, sintering at higher temperature for longer duration led to the formations of well crystalized lanthanide monouranates with much better homogeneity. Cubic fluorite structures were determined using X-ray diffraction data, which was confirmed with transmission electron microscopy and Raman spectroscopy. The nature of pentavalent uranium was verified with a combination of diffuse reflectance and X-ray photoelectron spectroscopies. The magnetic suseptability measurements revealed that they are paramagnetic with no long-range magnetic orders, likely due to the extensive short-range oxygen defects. Overall the improved structural and spectroscopic understandings of LnUO4 have implications in nuclear materials especially for potential accident tolerance fuels and spent fuel management. Crown Copyright © 2021 Published by Elsevier Ltd.
Kinetics vs. thermodynamics: a unique crystal transformation from a uranyl peroxo-nanocluster to a nanoclustered uranyl polyborate
(Royal Society of Chemistry, 2014-07-30) Zhang, YJ; Bhadbhade, MM; Price, JR; Karatchevtseva, I; Collison, D; Lumpkin, GR
A novel method to prepare a nano-clustered uranyl polyborate in aqueous solution at room temperature has been developed. The initially formed kinetically favoured sodium uranyl peroxide yellow crystals transform, in the presence of boric acid, to the thermodynamically stable sodium uranyl polyborate in light yellow-green single crystal form. © Royal Society of Chemistry 2016

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