A5073462382- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Metal-Organic Frameworks: Synthesis and Applications
- Magnetism in coordination complexes
- Porphyrin and Phthalocyanine Chemistry
- Lanthanide and Transition Metal Complexes
- Covalent Organic Framework Applications
- Supramolecular Chemistry and Complexes
- Metal complexes synthesis and properties
- Crystal structures of chemical compounds
- Polyoxometalates: Synthesis and Applications
- Metal-Catalyzed Oxygenation Mechanisms
- Radioactive element chemistry and processing
- Sulfur Compounds in Biology
- Analytical Chemistry and Chromatography
- Molecular spectroscopy and chirality
- Surface Chemistry and Catalysis
- Advanced NMR Techniques and Applications
- Organometallic Compounds Synthesis and Characterization
- Luminescence and Fluorescent Materials
- Advanced Condensed Matter Physics
- Photosynthetic Processes and Mechanisms
- Carbon dioxide utilization in catalysis
- Chemical Synthesis and Analysis
University of Southampton
2022-2024
Engineering and Physical Sciences Research Council
2022-2024
Lawrence Berkeley National Laboratory
2017-2022
University of St Andrews
2013-2019
Berkeley College
2017-2019
St. Andrews University
2017
Advanced Light Source
2017
NHS Fife
2017
The University of Melbourne
2008-2016
Monash University
2013-2014
Ammonia (NH3) is a promising energy resource owing to its high hydrogen density. However, widespread application restricted by the lack of efficient and corrosion-resistant storage materials. Here, we report NH3 adsorption in series robust metal–organic framework (MOF) materials, MFM-300(M) (M = Fe, V, Cr, In). VIII, Cr) show fully reversible capacity for >20 cycles, reaching capacities 16.1, 15.6, 14.0 mmol g–1, respectively, at 273 K 1 bar. Under same conditions, MFM-300(VIV) exhibits...
Predictable stereoselective formation of supramolecular assembly is generally believed to be an important but complicated process. Here, we show that point chirality a ligand decisively influences its behavior. We designed three closely related chiral ligands with different chiralities, and observe their self-assembly into europium (Eu) tetrametallic tetrahedral cages. One exhibits highly diastereoselective homochiral (either ΔΔΔΔ or ΛΛΛΛ) Eu cages whereas the two other ligands, approaches...
Industrial purification of propylene and ethylene requires cryogenic distillation selective hydrogenation over palladium catalysts to remove propane, ethane and/or trace amounts acetylene. Here, we report the excellent separation equimolar mixtures propylene/propane ethylene/ethane, a 1/100 mixture acetylene/ethylene by highly robust microporous material, MFM-520, under dynamic conditions. In situ synchrotron single crystal X-ray diffraction, inelastic neutron scattering analysis adsorption...
Crystalline compounds of general composition (NBu4)2[MII2(dhbq)3] (where M = Mn, Fe, Co, Ni, Zn, and Cd dhbq2– is the dianion 2,5-dihydroxybenzoquinone) are obtained by reaction divalent metal acetate (or sulfate in case Fe) with 2,5-diaminobenzoquinone an excess NBu4Br aqueous solution at 115 °C sealed tubes. The ligand generated situ hydrolysis 2,5-diaminobenzoquinone. We have been unable to obtain these a crystalline form suitable for single crystal X-ray diffraction studies directly from...
A reinvestigation of cobalt–corrole–triphenylphosphine complexes has yielded an unexpectedly subtle picture their electronic structures. UV–vis absorption spectroscopy, skeletal bond length alternations observed in X-ray structures, and broken-symmetry DFT (B3LYP) calculations suggest partial CoII–corrole•2– character for these complexes. The same probes applied to the analogous rhodium corroles evince no evidence a noninnocent corrole. spectroscopic studies showed that Co K rising edge...
Carbon, although the central element in organic chemistry, has been traditionally neglected as a target for directional supramolecular interactions. The design of structures involving carbon-rich molecules, such arene hydrocarbons, limited almost exclusively to non-directional π-stacking, or derivatisation with heteroatoms introduce molecular assembly recognition sites. As result, predictable non-derivatised, carbon-only π-systems using non-covalent interactions remains an unsolved...
An experimental study of Xe and Kr adsorption in metal–organic frameworks CPO-27-Ni, CPO-27-Mg, ZIF-8 was carried out. In situ synchrotron X-ray powder diffraction experiments allowed precise determination the sites sequence their filling with increasing gas pressure at different temperatures. Structural investigations were used for interpretation measurements.
Effective separation of mixtures enantiomers is continuing interest in analytical and preparative chromatography, with new materials frequently designed tested. We report two enantiomerically pure 2D→3D interpenetrated used as stationary liquid chromatographic (LC) phases that are shown to resolve selected racemic enantiomeric chemical selectivity. Dicarboxylate ligands derived from amino acids on naphthalene perylene cores form 2D frameworks interpenetrate give 3D structures. Selectivity...
Two sets of complexes Co-triarylcorrole-bispyridine complexes, Co[TpXPC](py)2 and Co[Br8TpXPC](py)2 have been synthesized, where TpXPC refers to a meso-tris(para-X-phenyl)corrole ligand with X = CF3, H, Me, OMe Br8TpXPC the corresponding β-octabrominated ligand. The axial pyridines in these were found be labile and, dilute solutions dichloromethane, dissociate almost completely five-coordinate monopyridine complexes. Upon addition small quantity pyridine, revert back six-coordinate forms....
A series of solid-state structural transformations are found to accompany desolvation relatively simple coordination polymers yield materials that exhibit unexpected gas sorbing properties. Reaction 1,2,4,5-tetrahydroxybenzene with M(II) salts (M = Mg, or Zn) in an alcohol/water solution the presence air affords cis-M(II)(C6H2O4(-II))(H2O)2·2H2O·xROH, Zn), crankshaft-like chains which absolute configurations chiral metal centres follow pattern Δ Λ Λ, and hydrogen bonded together generate...
Abstract Six-coordinate iridium(III) triarylcorrole derivatives, Ir[T p XPC)]L 2 , where T XPC = tris( para -X-phenyl)corrole (X CF 3 H, Me, and OCH ) L pyridine (py), trimethylamine (tma), isoquinoline (isoq), 4-dimethylaminopyridine (dmap), 4-picolinic acid (4pa), have been examined, with a view to identifying axial ligands most conducive near-infrared phosphorescence. Disappointingly, the phosphorescence quantum yield invariably turned out be very low, about 0.02 – 0.04% at ambient...
An ultramicroporous metal–organic framework (MOF) is reported that contains 0.35 nm nanotube-like channels with an unprecedented concentration of vacant CuII coordination sites. The nonintersecting, narrow in [Cu3(cdm)4] (cdm = C(CN)2(CONH2)−) align two perpendicular directions, structurally resembling copper-doped carbon nanotubes embedded the walls channels. combination ultramicroporosity exposed sites gives size-based selectivity CO2 over CH4, based on pore-size distribution and modeling....
An unusual 1D→2D polycatenated structure has been synthesised by expanding the principles for supramolecular assembly of discrete catenanes and exploiting large π-surfaces naphthalene diimides ligands with appropriately chosen coordinating termini.
Crystalline (PMePh3)2[Cd2(dhbq)3], (dhbq2− = deprotonated 2,5-dihydroxybenzoquinone, H2dhbq), attached to electrode surfaces, survives repeated cycles of reduction followed by re-oxidation when placed in contact with aqueous electrolyte media. The results afford encouragement that a range coordination networks containing redox active connecting ligands and/or metal centres may be reducible or oxidisable the solid state.
The homoleptic sandwich compounds - Mo and W biscorroles have afforded a novel platform for experimental studies of relativistic effects. A 200 mV difference in reduction potential remarkable 130 nm shift near-IR spectral feature been identified as manifestations effects on the properties these complexes.
Abstract Single‐crystal X‐ray analysis of the β‐heptakis(trifluoromethyl)‐ meso ‐tetrakis( p ‐fluorophenyl)porphyrin, H 2 [(CF 3 ) 7 TpFPP], has revealed first example a stable cis tautomer free‐base porphyrin, long‐postulated intermediate porphyrin tautomerism. The stability unique molecule appears to reflect dual origin: strongly saddled skeleton, which alleviates electrostatic repulsion between two NH protons, and polarization‐enhanced, transannular N−H⋅⋅⋅O−H⋅⋅⋅N hydrogen bond chains,...
To explore how consumers' characteristics interact with direct-to-consumer advertising (DTCA) to influence 2 behaviors: information seeking and asking for prescription.A secondary data analysis was conducted using a subset of 1,102 consumers who responded 1998 national survey by Prevention magazine.Being afflicted chronic conditions having positive attitudes toward DTCA were associated the willingness talk doctors about advertised drugs. Consumers asked prescriptions tended agree that made...
Engineering high-recognition host-guest materials is a burgeoning area in basic and applied research. The challenge of exploring novel porous with advanced functionalities prompted us to develop dynamic crystalline structures promoted by soft interactions. first example pure molecular framework demonstrated, which held together means weak "sticky fingers" van der Waals presented organic-fullerene-based material exhibits non-porous structure capable undergoing single-crystal-to-single-crystal...
Acid-catalyzed condensation of pyrrole, 4-trifluoromethylbenzaldehyde, and azulene, followed by DDQ oxidation, has resulted in the isolation novel macrocycle azulicorrole, arguably first example a carbacorrole aside from N-confused corrole. Despite poor yields (<1%), free ligand could be structurally characterized converted to formal Cu(III) Au(III) derivatives, which complex also characterized. Both base two metal complexes exhibit richly structured UV–vis spectra that extend well into...
A single-crystal to transformable coordination polymer compound was hydrothermally synthesized. The structural rearrangement is induced by selecting a ligand that contains both strong and weaker coordinating groups. Both hydrated dehydrated structures were determined single crystal X-ray analysis.