Mixed Valence Coordination Polymers and their Electronic Properties
Grant number: DP180101413 | Funding period: 2018 - 2021
The project aims to synthesise and examine the properties of crystalline coordination polymers that exhibit unusual and technologically useful properties arising from long-range electronic communication. The focus will be on materials in which the modular components (ligands, metals and counterions) are present in mixed valence states. The experimental investigation will be supported by dispersion-corrected, periodic-boundary DFT calculations which will be employed to both rationalise behaviour and provide direction for the generation of new materials.
Related publications (10)
Multifunctional Coordination Polymer Exhibiting Reversible Mechanical Motion Allowing Selective Uptake of Guests and Leading to Enhanced Electrical Conductivity
Robert W Elliott, Ashley L Sutton, Brendan F Abrahams, Deanna M D'Alessandro, Lars Goerigk, Carol Hua, Timothy A Hudson, Richard Robson, Keith F White
A remarkably flexible, multifunctional, 2D coordination polymer exhibiting an unprecedented mode of reversible mechanical motion, ..
CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods Describe Chalcogen-Bonding Interactions?
Nisha Mehta, Thomas Fellowes, Jonathan M White, Lars Goerigk
We present the CHAL336 benchmark set-the most comprehensive database for the assessment of chalcogen-bonding (CB) interactions. Af..
|The elusive crystals of calcium acetate hemihydrate: chiral rods linked by parallel hydrophilic strips
Brendan F Abrahams, Christopher J Commons, Timothy A Hudson, Robin W Sanchez Arlt
Calcium acetate hemihydrate is found in the efflorescent salts that form on pottery and other calcareous heritage artefacts. The f..
Tuning Charge-State Localization in a Semiconductive Iron(III)-Chloranilate Framework Magnet Using a Redox-Active Cation
Martin P van Koeverden, Brendan F Abrahams, Deanna M D'Alessandro, Patrick W Doheny, Carol Hua, Timothy A Hudson, Guy NL Jameson, Keith S Murray, Wasinee Phonsri, Richard Robson, Ashley L Sutton
The elucidation of mechanisms to modulate the properties of multifunctional electroactive, conductive, and magnetic porous materia..
A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4 4] metallocycles
Ashley L Sutton, Brendan F Abrahams, Timothy A Hudson, Richard Robson
Redox-active ligands are of interest for their ability to link metal centres and generate electroactive materials. We report the s..
Semi-conducting mixed-valent X(4)TCNQ(I-/II-)(X = H, F) charge-transfer complexes with C6H2(NH2)(4)
Ashley L Sutton, Brendan F Abrahams, Deanna M D'Alessandro, Lars Goerigk, Timothy A Hudson, Richard Robson, Pavel M Usov
We report further characterisation on the previously described [C6H2(NH2)4][TCNQ] charge-transfer (CT) complex. An in-depth analys..
Clam-like Cyclotricatechylene-based Capsules: Identifying the Roles of Protonation State and Guests as well as the Drivers for Stability and (Anti-)Cooperativity
Nisha Mehta, Brendan F Abrahams, Lars Goerigk
Cyclotricatechylene (ctcH6 ) is a bowl-shaped macrocyclic compound that can be used as a building block for self-assembled capsule..
A Semiconducting Cationic Square-Grid Network with Fe-III Centers Displaying Unusual Dynamic Behavior
Timothy A Hudson, Ashley L Sutton, Brendan F Abrahams, Deanna M D'Alessandro, Casey G Davies, Lars Goerigk, Guy NL Jameson, Boujemaa Moubaraki, Keith S Murray, Richard Robson, Pavel M Usov, Guochun Yang
The synthesis, structure and properties of a 2D FeIII network material of composition [Fe(O-bipy)2Cl](TCNQ)2 (O-bipy = 4,4'-bipyri..
Effects of Mixed Valency in an Fe-Based Framework: Coexistence of Slow Magnetic Relaxation, Semiconductivity, and Redox Activity
Ryuichi Murase, Christopher J Commons, Timothy A Hudson, Guy NL Jameson, Chris D Ling, Keith S Murray, Wasinee Phonsri, Richard Robson, Qingbo Xia, Brendan F Abrahams, Deanna M D'Alessandro
A 2-D coordination framework, (NEt4)2[Fe2(fan)3] (1·5(acetone); H2fan = 3,6-difluoro-2,5-dihydroxy-1,4-benzoquinone), was synthesi..
Square Grid Metal-Chloranilate Networks as Robust Host Systems for Guest Sorption
Christopher J Kingsbury, Brendan F Abrahams, Josie E Auckett, Hubert Chevreau, A David Dharma, Samuel Duyker, Qilin He, Carol Hua, Timothy A Hudson, Keith S Murray, Wasinee Phonsri, Vanessa K Peterson, Richard Robson, Keith F White
Reaction of the chloranilate dianion with Y(NO3 )3 in the presence of Et4 N+ in the appropriate proportions results in the formati..