David Collison
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Unexpected Family of Heterometallic Rings {Cr<sub>6</sub>M<sub>2</sub>} with 3,5-Bis(trifluoromethyl)benzoate Open
Three heterometallic rings, [Pr2NH2][(Pr2NH2)Cr6IIIM2IIF8(BTFB)16] (M is Ni, Co, or Zn, BTFBH = 3,5-bis(trifluoromethyl)benzoic acid) are reported, templated about a di-n-propylammonium cation. The ring contains six Cr(III) ions and two M(…
View article: Capturing the Elusive [Ru<sup>V</sup>═O]<sup>+</sup> Intermediate in Water Oxidation
Capturing the Elusive [Ru<sup>V</sup>═O]<sup>+</sup> Intermediate in Water Oxidation Open
Although several Run+ (n = 2 or 3) complexes have been reported to be excellent biomimetics for the water oxidation process of photosystem II, investigation and spectroscopic characterization of the reactive intermediates such as [RuIV/V═O…
View article: The Effects of Irradiation on Structure and Leaching of Pure and Doped Thin-Film Ceria SIMFUEL Models Prepared via Polymer-Templated Deposition
The Effects of Irradiation on Structure and Leaching of Pure and Doped Thin-Film Ceria SIMFUEL Models Prepared via Polymer-Templated Deposition Open
When studying hazardous materials such as spent nuclear fuel (SNF), the minimisation of sample volumes is essential, together with the use of chemically-similar surrogates where possible. For example, the bulk behaviour of urania (UO2) can…
View article: δ-Bonding versus Electron Localization in Formally Divalent Rare Earth Complexes
δ-Bonding versus Electron Localization in Formally Divalent Rare Earth Complexes Open
Herein we present a series of room-temperature stable, structurally analogous rare-earth complexes of the form [M(NHAriPr6)2] (M = Sc, Y, La, Sm, Eu, Tm, Yb; NHAriPr6 = {N(H)C6H3-2,6-(C6H2-2,4,6-iPr3)2}). All seven complexes contain formal…
View article: The Effects of Irradiation on Structure and Leaching of Pure and Doped Thin-Film Ceria SIMFUEL Models Prepared via Polymer-Templated Deposition
The Effects of Irradiation on Structure and Leaching of Pure and Doped Thin-Film Ceria SIMFUEL Models Prepared via Polymer-Templated Deposition Open
When studying hazardous materials such as spent nuclear fuel (SNF), minimisation of sample volumes is essential, together with the use of chemically-similar surrogates where possible. For example, the bulk behaviour of urania (UO2) can be …
View article: δ-Bonding modulates the electronic structure of formally divalent nd <sup>1</sup> rare earth arene complexes
δ-Bonding modulates the electronic structure of formally divalent nd <sup>1</sup> rare earth arene complexes Open
Metal–arene contacts in divalent rare earth complexes can give rise formal 4f n d( x 2 − y 2 ) valence electron configurations where metal–arene δ-bonding modulates the electronic structure. Rare earth ions without d-contribution ( i.e. f …
View article: Tuneable stimuli-responsive behaviour, spectroscopic signatures and redox properties of indolo[3,2-<i>b</i>]carbazole-based diradicals
Tuneable stimuli-responsive behaviour, spectroscopic signatures and redox properties of indolo[3,2-<i>b</i>]carbazole-based diradicals Open
Here we investigate how structural changes stabilise (or destabilise) indolcarbazole-based diradical systems, demonstrating that they are very useful motifs for dynamic covalent chemistry.
View article: Analysis of a Cu‐Doped Metal–Organic Framework, MFM‐520(Zn<sub>1‐x</sub>Cu<sub>x</sub>), for NO<sub>2</sub> Adsorption
Analysis of a Cu‐Doped Metal–Organic Framework, MFM‐520(Zn<sub>1‐x</sub>Cu<sub>x</sub>), for NO<sub>2</sub> Adsorption Open
MFM‐520(Zn) confines dimers of NO 2 with a high adsorption of 4.52 mmol g −1 at 1 bar at 298 K. The synthesis and the incommensurate structure of Cu‐doped MFM‐520(Zn) are reported. The introduction of paramagnetic Cu 2+ sites allows invest…
View article: Application of a Synthetic Ferredoxin‐Inspired [4Fe4S]‐Peptide Maquette as the Redox Partner for an [FeFe]‐Hydrogenase
Application of a Synthetic Ferredoxin‐Inspired [4Fe4S]‐Peptide Maquette as the Redox Partner for an [FeFe]‐Hydrogenase Open
‘Bacterial‐type’ ferredoxins host a cubane [4Fe4S] 2+/+ cluster that enables these proteins to mediate electron transfer and facilitate a broad range of biological processes. Peptide maquettes based on the conserved cluster‐forming motif h…
View article: CCDC 2218614: Experimental Crystal Structure Determination
CCDC 2218614: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2214198: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2214204: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Structural and Functional Diversity in Rigid Thiosemicarbazones with Extended Aromatic Frameworks: Microwave-Assisted Synthesis and Structural Investigations
Structural and Functional Diversity in Rigid Thiosemicarbazones with Extended Aromatic Frameworks: Microwave-Assisted Synthesis and Structural Investigations Open
The long-standing interest in thiosemicarbazones (TSCs) has been largely driven by their potential toward theranostic applications including cellular imaging assays and multimodality imaging. We focus herein on the results of our new inves…
Synthesis and characterisation of Ga- and In-doped CdS by solventless thermolysis of single source precursors Open
A low temperature and facile molecular precursor route towards phase-pure Ga- and In-doped CdS is reported. Photoluminescence spectroscopy showed that charge carrier recombination was reduced by doping the material, increasing exciton life…
Highly selective CO<sub>2</sub> photoreduction to CO on MOF-derived TiO<sub>2</sub> Open
Metal–Organic Framework (MOF)-derived TiO 2 , synthesised through the calcination of MIL-125-NH 2 , is investigated for its potential as a CO 2 photoreduction catalyst.
Correction: Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations Open
Correction for ‘Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations’ by Rajeh Alotaibi et al. , Dalton Trans. , 2023, 52 , 7473–7481, https://doi.org/10.1039/D3DT00982C.
Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations Open
Seven new heterometallic {Cr x Zn y } rings are reported, ranging in size from octametallic to tetradecametallic; their structures, magnetism and EPR spectra are reported.
Templating metallocycles with a macrocycle: synthesis, structures and magnetic studies of {Cr<sub>11</sub>M<sub>2</sub>} complexes Open
Two new metal rings are reported, grown around a [M(cyclen)] 2+ macrocyclic complex (M = Zn II or Cu II , cyclen = 1,4,7,10-tetrazacyclododecane).
Magnetic and Electronic Structural Properties of the S <sub>3</sub> State of Nature’s Water Oxidizing Complex: A Combined Study in ELDOR-Detected Nuclear Magnetic Resonance Spectral Simulation and Broken-Symmetry Density Functional Theory Open
ELDOR-detected nuclear magnetic resonance (EDNMR) spectral simulations combined with broken-symmetry density functional theory (BS-DFT) calculations are used to obtain and to assign the 55Mn hyperfine coupling constants (hfcs) for modified…
Modelling Conformational Flexibility in a Spectrally Addressable Molecular Multi‐Qubit Model System Open
Dipolar coupled multi‐spin systems have the potential to be used as molecular qubits. Herein we report the synthesis of a molecular multi‐qubit model system with three individually addressable, weakly interacting, spin centres of differing…
Modelling Conformational Flexibility in a Spectrally Addressable Molecular Multi‐Qubit Model System Open
Dipolar coupled multi‐spin systems have the potential to be used as molecular qubits. Herein we report the synthesis of a molecular multi‐qubit model system with three individually addressable, weakly interacting, spin centres of differing…
The Magnetic and Electronic Structural Properties of the S3 State of Nature’s Water Oxidising Complex: A Combined Study in ELDOR-Detected Nuclear Magnetic Resonance Spectral Simulation and Broken Symmetry Density Functional Theory Open
ELDOR-detected Nuclear Magnetic Resonance (EDNMR) spectral simulations combined with broken symmetry density functional theory (BS-DFT) calculations are used to obtain and to assign the 55Mn hyperfine coupling constants (hfcs) for modified…
Decorating beads with paramagnetic rings: synthesis of inorganic-organic [10^14]rotaxanes as shown by spin counting Open
Polymer beads have been used as the core of magnetic particles for around twenty years. Here we report studies to attach polymetallic complexes to polymer beads for the first time, producing beads of around 115 microns that are attached to…
View article: CCDC 1959721: Experimental Crystal Structure Determination
CCDC 1959721: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1959725: Experimental Crystal Structure Determination
CCDC 1959725: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
Decorating beads with paramagnetic rings: synthesis of inorganic-organic [10^14]rotaxanes as shown by spin counting Open
Polymer beads have been used as the core of magnetic particles for around twenty years. Here we report studies to attach polymetallic complexes to polymer beads for the first time, producing beads of around 115 microns that are attached to…
A self-crosslinking monomer, α-pinene methacrylate: understanding and exploiting hydrogen abstraction Open
A combined computational/experimental approach has been applied to investigate the self-crosslinking of α-pinene methacrylate via chain transfer through hydrogen abstraction.