Browsing Chemistry (Scholarly Publications) by Author "Schmitt, Wolfgang"
Now showing items 1-20 of 43
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The 4-pyridonyl group as a multifunctional electron donor in 1,8-naphthalimide-based photoluminescent and mechanically interlocked coordination compounds
Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur (2018)A new ligand system incorporating the 4-pyridonyl group as a substituent in 1,8-naphthalimide compounds is presented, with the pyridone group acting as both an electron donor for the internal charge transfer (ICT) fluorescence ... -
Altering the nature of coupling by changing the oxidation state in a {Mn6} cage
Watson, Graeme; Schmitt, Wolfgang; Venkatesan, Munuswamy (2020)Polynuclear transition metal complexes have continuously attracted interest owing to their peculiar electronic and magnetic properties which are influenced by the symmetry and connectivity of the metal centres. Understanding ... -
Anion-directed supramolecular chemistry modulating the magnetic properties of nanoscopic Mn coordination clusters: From polynuclear high-spin complexes to SMMs
Schmitt, Wolfgang; Zhu, Nian-Yong (2016)We report a supramolecular approach to mixed-valent Mn coordination clusters that demonstrates how halide ions can be applied to in fl uence the assembly of distinct tetranuclear building units to produce a number of ... -
Assembly, disassembly and reassembly: a “top-down” synthetic strategy towards hybrid, mixed-metal {Mo10Co6} POM clusters
Schmitt, Wolfgang (2019)Polyoxometalates (POMs) are commonly prepared using a “bottom-up” synthetic procedure. The alternative “top-down” approach of disassembling a pre-formed POM unit to generate new synthetic intermediates is promising, but ... -
Assembly, disassembly and reassembly: a “top-down” synthetic strategy towards hybrid, mixed-metal {Mo10Co6} POM clusters
Schmitt, Wolfgang (2019)Polyoxometalates (POMs) are commonly prepared using a “bottom-up” synthetic procedure. The alternative “top-down” approach of disassembling a pre-formed POM unit to generate new synthetic intermediates is promising, but ... -
Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties
Gunnlaugsson, Thorfinnur; Schmitt, Wolfgang; Moebius, Matthias (2017) -
Bioinspired Water Oxidation Using a Mn-Oxo Cluster Stabilized by Non-Innocent Organic Tyrosine Y161 and Plastoquinone Mimics
Schmitt, Wolfgang; Venkatesan, Munuswamy (2020)The complexity and energy demand of the H2O oxidation half-reaction represents the bottleneck for the development of sustainable, environmentally friendly H2 economies using H2O as energy feedstock. In Nature, photosynthetic ... -
Computational modelling of water oxidation catalysts
Garcia Melchor, Max; Schmitt, Wolfgang (2018)In this opinion, we review the state-of-the-art in the modelling of the water oxidation reaction catalysed by homogeneous and heterogeneous systems. We start by introducing the potential and current limitations in the ... -
Coordination chemistry of flexible benzene-1, 3, 5-tricarboxamide derived carboxylates; notable structural resilience and vaguely familiar packing motifs
Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur (Royal Society of Chemistry, 2018) -
A cubane-type manganese complex with H2O oxidation capabilities
Watson, Graeme; Schmitt, Wolfgang; Venkatesan, Munuswamy (2020)We report the synthesis and characterisation of [Mn8K2O4(OH)2((CH3)3CCOO)16(CH3CN)2] whose cluster core shares some features with the oxygen evolving complex (OEC), the natural water oxidation catalyst. Importantly, this ... -
Enhancing capacitance behaviour of CoOOH nanostructures using transition metal dopants by ambient oxidation
Zhang, Hongzhou; Schmitt, Wolfgang; Maguire, Pierce (2016)Cobalt hydrate and doped binary Co0.9M0.1OOH (M = Ni, Mn, Fe) nanorings of 100-300 nm were fabricated in solution through a facile ambient oxidation method. A transformation from Co0.9Ni0.1(OH)2 nanodiscs to hollow ... -
Exploring the reversible host–guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand
Gunnlaugsson, Thorfinnur; Schmitt, Wolfgang (2018)Here we report the synthesis of two new 2-(2′-pyrazinyl)pyridine ligands, and explore their coordination chemistry with Cu(II) and Ag(I) ions, leading to the discovery of metallosupramolecular architectures of surprising ... -
Extending the family of Zn-based MOFs: synthetic approaches to chiral framework structures and MOFs with large pores and channels
Schmitt, Wolfgang; Zhu, Nian-Yong (2012)Tri- and pentanuclear, kinetically stable SBUs were exploited for the preparation of the novel MOFs [Zn 3(BTEB) 2(DMF) 2] and (Me 2NH 2)[Zn 5(BTEB) 3(? 3-OH) 2(DMF) 2]. The applied synthetic approach results in topologies ... -
Fe(III)-doped coordination polymer of Mn13-clusters with improved activity for oxygen reduction reaction
Schmitt, Wolfgang (2019)Fe(III) dopants have been introduced into a porous coordination polymer of Mn13-clusters to form composite materials. The resulting Fe@Mn13-polymer showed enhanced oxygen reduction reaction (ORR) activity, making it a ... -
Flexible Metal−Organic Frameworks for Light-Switchable CO2 Sorption Using an Auxiliary Ligand Strategy
Watson, Graeme; Schmitt, Wolfgang (2019)We report the synthesis and characterization of two photoactive metal–organic frameworks (MOFs), TCM-14 and TCM-15. The compounds were synthesized by incorporating 4,4′-azopyridine auxiliary ligands into pto-type scaffolds ... -
Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands
Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur (2016)Two new luminescent ditopic naphthalimide-derived ligands, N-(4-cyanophenylmethylene)-4-(4-cyanophenoxy)-1,8-naphthalimide (L3) and N-(4-carboxyphenylmethylene)-4-(4-carboxyphenoxy)-1,8-naphthalimide (H2L4), have been ... -
Framework Isomerism: Highly Augmented Copper(II)-Paddlewheel-Based MOF with Unusual (3,4)-Net Topology
Schmitt, Wolfgang; Zhu, Nian-Yong (2016) -
A highly augmented, (12,3)-connected Zr-MOF containing hydrated coordination sites for the catalytic transformation of gaseous CO2 to cyclic carbonates
Schmitt, Wolfgang (2019)A porous Zr-based MOF, [Zr6(BTEB)4(μ3-O)4(μ3-OH)4(H2O)4], which contains partially hydrated, 12-connected {Zr6} nodes and extended carboxylate ligands (BTEB3−), was synthesized and physicochemically characterised. The ... -
Hyper-crosslinked 4-amino-1,8-naphthalimide Tröger’s base containing pyridinium covalent organic polymer (COP) for discriminative fluorescent sensing of chemical explosives
Watson, Graeme; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur (2020)A new hyper-crosslinked 4-amino-1,8-naphthalimide Tröger’s base containing pyridinium covalent organic polymer, TBNap-COP, was synthesised and employed as a ‘turn-off’ fluorescent chemosensor for nitroaromatic explosives. ... -
J2suscep: Calculation of magnetic exchange coupling and temperature dependence of magnetic susceptibility
Watson, Graeme; Tandon, Swetanshu; Schmitt, Wolfgang (2021)The field of molecular magnetism has attracted significant interest owing to the rising need to miniaturize magnets. Advances in this field require a deep understanding of the electronic structure of magnets, and computational ...