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Articles by Stephen Liddle
A crystalline uranium Fischer-type carbyne
Abstract Since their discovery in 1973, transition metal Fischer carbynes have become a foundational class of metal–carbon triple bond in organometallic chemistry. However, even though the uranium Fischer carbyne bonding motif has been a fundamental target in f-element chemistry, its isolation has remained challenging. Here we report the synthesis and characterization of the uranium Fischer-type carbyne complex [N″3U(μ-CNN)UN″3] (N″ = N(SiMe3)2).
Model-Driven Software Development
model-driven software development, software modeling, automatic code generation "Model-Driven Software Development", Handbook of Conceptual Modeling: Theory, Practice, and Research Challenges, Pages 17-56, Springer, Berlin, David W. Embley and Bernhard Thalheim, 2011 Liddle, Stephen W., "Model-Driven Software Development" (2011). Faculty Publications. 9502.
Field-induced non-linear magnetic responses of all-metal Jellium σ-aromats
Abstract In recent times all-metal aromaticity has arisen, challenging classical views of aromaticity. All-metal aromaticity invokes metal-metal bonding, but this remains rare for the actinides. Recently, one-electron trithorium superatom clusters exhibiting exalted diamagnetism and hence open-shell Jellium aromaticity have been reported. Those clusters complement closed-shell two-electron congeners, but computational assessments advanced conflicting interpretations.
All-metal aromaticity of cyclo-Bi 3 3− in diuranium and dithorium inverse-sandwich-type complexes
Abstract Delocalized [4n + 2]π-aromaticity in cyclic planar unsaturated organic molecules conceptually underpins organic chemistry. Recently, the study of all-metal aromaticity has burgeoned, but although there has been interest in cyclo-{E3} (E = P, As, Sb, Bi) species as cyclopropenium analogues, the formation of cyclo-{Bi3} remains rare. Thus, the potential aromaticity of 2/6π-cyclo-Bi3+/3−, as the heaviest 6p analogue of cyclopropylium, has remained open to different interpretations.
Catalytic and stoichiometric stepwise conversion of side-on bound dinitrogen to ammonia mediated by a uranium complex - Nature Chemistry
Abstract The well-defined catalytic conversion of dinitrogen (N2) to ammonia (NH3) by molecular complexes is of fundamental interest and important for providing an atomic-level understanding of reactivity that can be related to industrial and biological nitrogen-fixation processes. Molecular catalytic N2 to NH3 conversion currently involves the reduction and protonation of terminal or bridging end-on bound metal–N2 complexes.
Metal-Metal Bonding in Tri‐Actinide Clusters: A DFT Study of [An3Cl6]z (z=1-6) and [An3Cl6Cp3]z (z=−2-+3; An=Ac, Th, Pa, U, Np, Pu)
Introduction Molecular actinide–actinide bonding is a rare phenomenon compared with the widely researched area of metal–metal bonding in transition metal chemistry.1 Examples of experimentally prepared systems featuring actinide–actinide bonds include the gas-phase diatomics U2, U2− and Th2,2 the hydrides U2H2 and U2H4 in frozen matrices,3 the endohedral metallofullerenes U2@Ih(7)-C80 and Th2@Ih(7)-C80,4 and the polymeric tri-thorium cluster5 [{Th(η8-C8H8)(μ3-Cl)2}3{K(THF)2}2]∞ (3, using the...
Multilingual Extraction Ontologies
Keywords multilingual, extraction ontologies, mapping system College Physical and Mathematical Sciences Department Computer Science Abstract On December 29, 2009 we were informed that our application for a 2010 MEG grant was approved. This final report sketches the accomplishments attained during the project’s timeframe since then.
Actinide Triamidoamine (TrenR) Chemistry: Uranium and Thorium Derivatives Supported by a Diphenyl‐tert‐Butyl‐Silyl‐Tren Ligand
Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
"An ontology-driven reading agent" by Deryle W. Lonsdale, David W. Embley et al.
Keywords Textual data, Machine reading, Data extraction, Natural language proccessing, OntoSoar system Abstract Textual data—from manuscripts to publications to website content—contains much of extant human knowledge.
"Pragmatic Quality Assessment for Automatically Extracted Data" by Deryle W. Lonsdale, Scott N. Woodfield et al.
Keywords quality data, data cleaning, automated information extraction, declarative constraint specification, automated integrity checking, conceptual-model-based extraction ensemble. Abstract Automatically extracted data is rarely “clean” with respect to pragmatic (real-world) constraints—which thus hinders applications that depend on quality data. We proffer a solution to detecting pragmatic constraint violations that works via a declarative and semantically enabled constraint-violation checker.
"Inter-Generational Family Reconstitution with Enriched Ontologies" by Deryle W. Lonsdale, David W. Embley et al.
Keywords Record linkage, Enriched ontologies, Linguistic grounding, Pragmatic constraints, Cultural normatives, Evidential reasoning Abstract Enriching ontologies can measurably enhance research in digital humanities. Support for this claim is shown by using an enriched ontology to attack a well known and challenging problem: record linkage of historical records for inter-generational family reconstitution.
"Ontological Document Reading An Experience Report" by Deryle W. Lonsdale, David W. Embley et al.
Keywords Document Reading, Information Extraction, Conceptual Modeling, Ontology Conceptualization, Extraction Ontology Abstract Ontological document reading is defined as automatically and appropriately populating a conceptual model representing an ontological conceptualization of some fragment of the real world.
"Multilingual Extraction Ontologies" by Deryle W. Lonsdale, David W. Embley et al.
Keywords Multilingual barriers, Multilingual extraction ontologies, Cross-language communication, Linguistic grounding, Tech-transfer opportunities Abstract In our global society, multilingual barriers sometimes prohibit and often discourage international travelers from receiving desired goods and services.
"Ontologies for Multilingual Extraction" by Deryle W. Lonsdale, David W. Embley et al.
Keywords Multilingual barriers, Multilingual extraction ontologies, Linguistic grounding, Cross-language communication, Automated cross-linguistic-mapping construction Abstract In our global society, multilingual barriers sometimes prohibit and often discourage people from accessing a wider variety of goods and services. We propose multilingual extraction ontologies as an approach to resolving these issues.
A Knowledge-Bundle Builder for Research Studies" by Deryle W. Lonsdale, David W. Embley et al.
Keywords Knowledge-Bundle Builder, Research Studies, research development Abstract Researchers struggle to manage vast amounts of data coming from hundreds of sources in online repositories. To successfully conduct research studies, researchers need to find, retrieve, filter, extract, integrate, organize, and share information in a timely and high-precision manner.
Principled Pragmatism: A Guide to the Adaptation of Ideas from Philosophical Disciplines to Conceptual Modeling
Keywords Philosophical Disciplines, Conceptual Modeling, traditional disciplines Abstract The synergism among the traditional disciplines of ontology, epistemology, logic, and linguistics and their potential for enhancing conceptual-modeling applications is not fully understood. Better understanding how to adapt ideas from these disciplines should lead to improved serviceability of conceptual modeling.
"Extracting information from French obituaries" by Deryle W. Lonsdale, David W. Embley et al.
Keywords extracting information, French obituaries, French system Abstract This paper discusses ongoing efforts to develop a system for extracting information from French obituaries. The approach is based on prior work on ontology-based English obituary extraction, which we first summarize. Then we mention sources for, and characteristics of, typical French obituaries.
Actinide‐Actinide Bonding: Electron Delocalisation and σ‐Aromaticity in the Tri‐Thorium Cluster [{Th(η8‐C8H8)(μ‐Cl)2}3K2]
Abstract The tri-thorium cluster [{Th(η8-C8H8)(μ3-Cl)2}3{K(THF)2}2]∞ (Nature 2021, 598, 72–75) was reported to feature intriguing s‑aromatic bonding between the thorium atoms, a mode of metal–metal bonding unique in the actinide series. However, the presence of this bonding motif has since been challenged by others.
Author Correction: Thorium–phosphorus triamidoamine complexes containing Th–P single- and multiple-bond interactions - Nature Communications
Correction to: Nature Communications https://doi.org/10.1038/ncomms12884, published online 29 September 2016 The original version of this Article contained errors in the 31P NMR chemical shifts of compounds 3 and 5, due to an instrument referencing error that has been recognized later.
Comparison of group 4 and thorium M(IV) substituted cyclopentadienyl silanide complexes
Comparison of group 4 and thorium M(iv) substituted cyclopentadienyl silanide complexes† We report the synthesis and characterisation of a series of M(IV) substituted cyclopentadienyl hypersilanide complexes of the general formula [M(CpR)2{Si(SiMe3)3}(X)] (M = Hf, Th; CpR = Cp′, {C5H4(SiMe3)} or Cp′′, {C5H3(SiMe3)2-1,3}; X = Cl, C3H5).
Uranium-Nitride Chemistry: Uranium-Uranium Electronic Communication Mediated by Nitride Bridges
Uranium-Nitride Chemistry: Uranium-Uranium Electronic Communication Mediated by Nitride Bridges David M King, Stephen Liddle, Ashley Wooles, John Seed, Matthew Gregson, Nikolas Kaltsoyannis, Benjamin Atkinson and Lucile Chatelain Abstract Treatment of [UIV(N3)(TrenTIPS)] (1, TrenTIPS = {N(CH2CH2NSiPri3)3}3-) with excess Li resulted in the isolation of [{UIV(-NLi2)(TrenTIPS)}2] (2), which exhibits a diuranium(IV) ‘diamond-core’ dinitride motif.
f-Element silicon and heavy tetrel chemistry
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Heteroleptic actinocenes: a thorium(IV)–cyclobutadienyl–cyclooctatetraenyl–di-potassium-cyclooctatetraenyl complex
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Nature of the Arsonium‐Ylide Ph3As=CH2 and a Uranium(IV) Arsonium‐Carbene Complex
Communication Stephen Liddle Corresponding Author E-mail address: steve.liddle@manchester.ac.uk The University of Manchester, School of Chemistry, Oxford Road, M13 9PL Manchester, UNITED KINGDOM Search for more papers by this author Abstract Treatment of [Ph3EMe][I] with [Na{N(SiMe3)2}] affords the ylides [Ph3E=CH2] (E = As, 1As; P, 1P). For 1As this overcomes prior difficulties in the synthesis of this classical arsonium‐ylide that have historically impeded its wider study.
Back-bonding between an electron-poor, high-oxidation-state metal and poor π-acceptor ligand in a uranium(v)–dinitrogen complex
Abstract A fundamental bonding model in coordination and organometallic chemistry is the synergic, donor–acceptor interaction between a metal and a neutral π-acceptor ligand, in which the ligand σ donates to the metal, which π back-bonds to the ligand. This interaction typically involves a metal with an electron-rich, mid-, low- or even negative oxidation state and a ligand with a π* orbital.
Prediction of high bond-order metal-metal multiple-bonds in heterobimetallic 3d-4f/5f complexes [TM-M{N(o-[NCH2P(CH3)2]C6H4)3}] (TM = Cr, Mn, Fe; M = U, Np, Pu, and Nd) - Dalton Transactions (RSC Publishing)
Prediction of high bond-order metal–metal multiple-bonds in heterobimetallic 3d–4f/5f complexes [TM–M{N(o-[NCH2P(CH3)2]C6H4)3}] (TM = Cr, Mn, Fe; M = U, Np, Pu, and Nd) Shu-Xian Hu,*ab Erli Luc and Stephen T.
International Year of the Periodic Table: Lanthanide and Actinide Chemistry
Guest Editorial Prof. Stephen T. Liddle Corresponding Author E-mail address: steve.liddle@manchester.ac.uk http://orcid.org/0000-0001-9911-8778 School of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL UK Search for more papers by this author PDF PDF ShareShare Abstract “Lanthanides find extensive applications in displays, magnets, batteries, contrast reagents, and biological probes, and actinides are central to nuclear fuel and fire alarms.
Trapping of a Highly Bent and Reduced Form of 2‐Phosphaethynolate in a Mixed‐Valence Diuranium‐Triamidoamine Complex
Communication Trapping of a Highly Bent and Reduced Form of 2‐Phosphaethynolate in a Mixed‐Valence Diuranium‐Triamidoamine Complex Stephen Liddle Corresponding Author E-mail address: steve.liddle@manchester.ac.uk The University of Manchester, School of Chemistry, Oxford Road, M13 9PL Manchester, UNITED KINGDOM Search for more papers by this author PDF PDF Share Abstract The chemistry of 2‐phosphaethynolate is burgeoning, but there remains much to learn about this ligand, for example its...
Bimetallic Cooperative Cleavage of Dinitrogen to Nitride and Tandem Frustrated Lewis Pair Hydrogenation to Ammonia
Communication Bimetallic Cooperative Cleavage of Dinitrogen to Nitride and Tandem Frustrated Lewis Pair Hydrogenation to Ammonia Stephen Liddle Corresponding Author E-mail address: steve.liddle@manchester.ac.uk The University of Manchester, School of Chemistry, Oxford Road, M13 9PL Manchester, UNITED KINGDOM Search for more papers by this author PDF PDF Share Abstract Although reductive cleavage of dinitrogen (N2) to nitride (N3‐) and hydrogenation with dihydrogen (H2) to yield ammonia (NH3)...
Bimetallic Cooperative Cleavage of Dinitrogen to Nitride and Tandem Frustrated Lewis Pair Hydrogenation to Ammonia
Communication Bimetallic Cooperative Cleavage of Dinitrogen to Nitride and Tandem Frustrated Lewis Pair Hydrogenation to Ammonia Prof. Stephen T.
International Year of the Periodic Table: Lanthanide and Actinide Chemistry
Guest Editorial International Year of the Periodic Table: Lanthanide and Actinide Chemistry Prof. Stephen T.
International Year of the Periodic Table: Lanthanide and Actinide Chemistry
Guest Editorial International Year of the Periodic Table: Lanthanide and Actinide Chemistry Prof. Stephen T.
Catalytic Dinitrogen Reduction to Ammonia at a Triamidoamine‐Titanium Complex
We report unprecedented catalytic reduction of N2 to NH3 by a molecular Ti complex, thus now adding an early d‐block metal to the small group of mid‐ and late‐d‐block metals (Mo, Fe, Ru, Os, Co) that are capable of executing catalytic production of NH3 by N2 reduction and protonolysis under homogeneous, abiological conditions. Under Ar, reduction of [TiIV(TrenTMS)X] (X = Cl, 1A; I, 1B; TrenTMS = N(CH2CH2NSiMe3)3) with 1 equivalent of KC8 affords [TiIII(TrenTMS)] (2).
Silyl-Phosphino-Carbene Complexes of Uranium(IV)
We report unprecedented silyl-phosphino-carbene complexes of uranium(IV), where before all covalent actinide-carbon double bonds were stabilised by phosphorus(V) substituents or restricted to matrix isolation experiments. Conversion of [U(BIPMTMS)(Cl)(μ-Cl)2Li(THF)2] (1, BIPMTMS = C(PPh2NSiMe3)2) to [U(BIPMTMS)(Cl){CH(Ph)(SiMe3)}] (2), and addition of [Li{CH(SiMe3)(PPh2)}(THF)] and Me2NCH2CH2NMe2 (TMEDA) gave [U{C(SiMe3)(PPh2)}(BIPMTMS)(μ-Cl)Li(TMEDA)(μ-TMEDA)0.5]2 (3) by α-hydrogen abstraction.
Electron-Precise Actinide-Pnictide (An-Pn) Bonds Spanning Non-Metal, Metalloid, and Metal Combinations (An = U, Th; Pn = P, As, Sb, Bi)
We report the synthesis and characterisation of the compounds [An(TrenDMBS){Pn(SiMe3)2}] and [An(TrenTIPS){Pn(SiMe3)2}] [TrenDMBS = N(CH2CH2NSiMe2But)3, An = U, Pn = P, As, Sb, Bi; An = Th, Pn = P, As; TrenTIPS = N(CH2CH2NSiPri3)3, An = U, Pn = P, As, Sb; An = Th, Pn = P, As, Sb]. The U-Sb and Th-Sb moieties are unprecedented examples of any kind of An-Sb molecular bond, and the U-Bi bond is the first electron-precise one.
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