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Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines (2024)
Journal Article
Liu, Y., Coles, N. T., Cajiao, N., Taylor, L. J., Davies, E. S., Barbour, A., …Kays, D. L. (2024). Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines. Chemical Science, 15(25), 9599-9611. https://doi.org/10.1039/D4SC01286K

The scission and homologation of CO is a fundamental process in the Fischer–Tropsch reaction. However, given the heterogeneous nature of the catalyst and forcing reaction conditions, it is difficult to determine the intermediates of this reaction. He... Read More about Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.

Slow magnetic relaxation in Fe(ii) m-terphenyl complexes (2022)
Journal Article
Valentine, A. J., Geer, A. M., Blundell, T. J., Tovey, W., Cliffe, M. J., Davies, E. S., …Kays, D. L. (2022). Slow magnetic relaxation in Fe(ii) m-terphenyl complexes. Dalton Transactions, 51(47), 18118-18126. https://doi.org/10.1039/d2dt03531f

Two-coordinate transition metal complexes are exciting candidates for single-molecule magnets (SMMs) because their highly axial coordination environments lead to sizeable magnetic anisotropy. We report a series of five structurally related two-coordi... Read More about Slow magnetic relaxation in Fe(ii) m-terphenyl complexes.

Organoruthenium Complexes Containing Hemilabile Phosphinodicarboxamide Ligands (2022)
Preprint / Working Paper
Nolla-Saltiel, R., Geer, A. M., Sharpe, H. R., Huke, C. D., Taylor, L. J., Linford-Wood, T. G., …Kays, D. L. Organoruthenium Complexes Containing Hemilabile Phosphinodicarboxamide Ligands

Ruthenium complexes of hemilabile phosphinocarboxamide ligands, and their use to form metallacycles using halide abstraction/deprotonation reactions are reported. Thus, [Ru(p-cym){PPh2C(=O)NHR}Cl2; R = iPr (1), Ph (2), p-tol (3)] and [Ru(p-cym){PPh2C... Read More about Organoruthenium Complexes Containing Hemilabile Phosphinodicarboxamide Ligands.

Structural and Electronic Studies of Substituted m-Terphenyl Group 12 Complexes (2022)
Journal Article
Valentine, A. J., Taylor, L. J., Geer, A. M., Huke, C. D., Wood, K. E., Tovey, W., …Kays, D. L. (2022). Structural and Electronic Studies of Substituted m-Terphenyl Group 12 Complexes. Organometallics, 41(11), 1426-1433. https://doi.org/10.1021/acs.organomet.2c00156

The effects of para-substitution on the structural and electronic properties of four series of two-coordinate m-terphenyl Group 12 complexes (R-Ar#)2M (M = Zn, Cd, Hg; R = t-Bu 1-3, SiMe34-6, Cl 7-9, CF310-12, where R-Ar#= 2,6-{2,6-Xyl}2-4-R-C6H2and... Read More about Structural and Electronic Studies of Substituted m-Terphenyl Group 12 Complexes.

Mapping blood biochemistry by Raman spectroscopy at the cellular level (2021)
Journal Article
Volkov, V. V., McMaster, J., Aizenberg, J., & Perry, C. C. (2022). Mapping blood biochemistry by Raman spectroscopy at the cellular level. Chemical Science, 13(1), 133-140. https://doi.org/10.1039/d1sc05764b

We report how Raman difference imaging provides insight on cellular biochemistryin vivoas a function of sub-cellular dimensions and the cellular environment. We show that this approach offers a sensitive diagnostic to address blood biochemistry at th... Read More about Mapping blood biochemistry by Raman spectroscopy at the cellular level.

Group 11 m-Terphenyl Complexes Featuring Metallophilic Interactions (2021)
Journal Article
Liu, Y., Taylor, L. J., Argent, S. P., McMaster, J., & Kays, D. L. (2021). Group 11 m-Terphenyl Complexes Featuring Metallophilic Interactions. Inorganic Chemistry, 60(14), 10114-10123. https://doi.org/10.1021/acs.inorgchem.0c03623

A series of group 11 m-terphenyl complexes have been synthesized via a metathesis reaction from the iron(II) complexes (2,6-Mes2C6H3)2Fe and (2,6-Xyl2C6H3)2Fe (Mes = 2,4,6-Me3C6H2; Xyl = 2,6-Me2C6H3). [2,6-Mes2C6H3M]2 (1, M = Cu; 2, M = Ag; 6, M = Au... Read More about Group 11 m-Terphenyl Complexes Featuring Metallophilic Interactions.

Structural and electronic studies of substituted m-terphenyl lithium complexes (2020)
Journal Article
Valentine, A. J., Geer, A. M., Taylor, L. J., Teale, A. M., Wood, K. E., Williams, H. E. L., …Kays, D. L. (2021). Structural and electronic studies of substituted m-terphenyl lithium complexes. Dalton Transactions, 50(2), 722-728. https://doi.org/10.1039/d0dt03972a

The effect of para-substitution upon the structural and electronic properties of a series of m-terphenyl lithium complexes [R-Ar#-Li]2 (R = t-Bu 1, SiMe32, H 3, Cl 4, CF35; where R-Ar# = 2,6-{2,6-Xyl}2-4-R-C6H2 and 2,6-Xyl = 2,6-Me2C6H3) has been inv... Read More about Structural and electronic studies of substituted m-terphenyl lithium complexes.

Imidazolylidene Cu(II) complexes: synthesis using imidazolium carboxylate precursors and structure rearrangement pathways (2019)
Journal Article
Ségaud, N., McMaster, J., van Koten, G., & Albrecht, M. (2019). Imidazolylidene Cu(II) complexes: synthesis using imidazolium carboxylate precursors and structure rearrangement pathways. Inorganic Chemistry, 58(23), 16047-16058. https://doi.org/10.1021/acs.inorgchem.9b02568

Copper(II) complexes of type (NHC)CuX2 (X = OAc, Cl, Br, BF4, NO3) bearing monodentate N-heterocyclic carbenes (NHCs) were prepared by in situ decarboxylation of imidazolium carboxylates as a new synthetic methodology for Cu(II)-NHC complexes. In con... Read More about Imidazolylidene Cu(II) complexes: synthesis using imidazolium carboxylate precursors and structure rearrangement pathways.

Formation of a Copper(II)–Tyrosyl Complex at the Active Site of Lytic Polysaccharide Monooxygenases Following Oxidation by H2O2 (2019)
Journal Article
Paradisi, A., Johnston, E. M., Tovborg, M., Nicoll, C. R., Ciano, L., Dowle, A., …Walton, P. H. (2019). Formation of a Copper(II)–Tyrosyl Complex at the Active Site of Lytic Polysaccharide Monooxygenases Following Oxidation by H2O2. Journal of the American Chemical Society, 141(46), 18585-18599. https://doi.org/10.1021/jacs.9b09833

Hydrogen peroxide is a cosubstrate for the oxidative cleavage of saccharidic substrates by copper-containing lytic polysaccharide monooxygenases (LPMOs). The rate of reaction of LPMOs with hydrogen peroxide is high, but it is accompanied by rapid in... Read More about Formation of a Copper(II)–Tyrosyl Complex at the Active Site of Lytic Polysaccharide Monooxygenases Following Oxidation by H2O2.

Carbene in Cupredoxin Protein Scaffolds: Replacement of a Histidine Ligand in the Active Site Substantially Alters Copper Redox Properties (2018)
Journal Article
Planchestainer, M., Segaud, N., Shanmugam, M., McMaster, J., Paradisi, F., & Albrecht, M. (2018). Carbene in Cupredoxin Protein Scaffolds: Replacement of a Histidine Ligand in the Active Site Substantially Alters Copper Redox Properties. Angewandte Chemie International Edition, 57(33), 10677-10682. https://doi.org/10.1002/anie.201807168

© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim N-heterocyclic carbene (NHC) ligands have had a major impact in homogeneous catalysis, however, their potential role in biological systems is essentially unexplored. We replaced a copper-coordinatin... Read More about Carbene in Cupredoxin Protein Scaffolds: Replacement of a Histidine Ligand in the Active Site Substantially Alters Copper Redox Properties.

Heterobimetallic [NiFe] complexes containing mixedCO/CN− ligands: analogs of the active site of the [NiFe]hydrogenases (2018)
Journal Article
Perotto, C. U., Sodipo, C. L., Jones, G. J., Tidey, J. P., Blake, A. J., Lewis, W., Davies, E. S., McMaster, J., & Schröder, M. (in press). Heterobimetallic [NiFe] complexes containing mixedCO/CN− ligands: analogs of the active site of the [NiFe]hydrogenases. Inorganic Chemistry, 57(5), https://doi.org/10.1021/acs.inorgchem.7b02905

The development of synthetic analogs of the active sites of [NiFe] hydrogenases remains challenging and, in spite of the number of complexes featuring a [NiFe] center, those featuring CO and CN− ligands at the Fe center are under-represented. We repo... Read More about Heterobimetallic [NiFe] complexes containing mixedCO/CN− ligands: analogs of the active site of the [NiFe]hydrogenases.

The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes (2017)
Journal Article
Gregson, M., Lu, E., Mills, D. P., Tuna, F., McInnes, E. J., Hennig, C., …Liddle, S. T. (2017). The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes. Nature Communications, 8, Article 14137. https://doi.org/10.1038/ncomms14137

© The Author(s) 2017. Across the periodic table the trans-influence operates, whereby tightly bonded ligands selectively lengthen mutually trans metal-ligand bonds. Conversely, in high oxidation state actinide complexes the inverse-trans-influence op... Read More about The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes.

A monomeric, heterobimetallic complex with an unsupported Mg−Fe bond (2016)
Journal Article
Birchall, C., Moxey, G. J., McMaster, J., Blake, A. J., Lewis, W., & Kays, D. L. (2017). A monomeric, heterobimetallic complex with an unsupported Mg−Fe bond. Inorganica Chimica Acta, 458, 97-100. https://doi.org/10.1016/j.ica.2016.12.029

The phosphinimine, trimethylsilyl-substituted BIPM ligand [BIPM = bis(iminophosphorano)methanide] has been used to stabilise CH(Ph2PNSiMe3)2MgFe(η5-C5H5)(CO)2 (1), which is a structurally authenticated complex exhibiting a direct, unsupported bond be... Read More about A monomeric, heterobimetallic complex with an unsupported Mg−Fe bond.

Probing the use of long lived intra-ligand π-π * excited states for photocatalytic systems: a study of the photophysics and photochemistry of [ReCl(CO)3(dppz-(CH3)2)] (2016)
Journal Article
Summers, P. A., Calladine, J. A., Ibrahim, N., Kusumo, K. P., Clark, C. A., Sun, X., …George, M. W. (2017). Probing the use of long lived intra-ligand π-π * excited states for photocatalytic systems: a study of the photophysics and photochemistry of [ReCl(CO)3(dppz-(CH3)2)]. Polyhedron, 123, 259-264. https://doi.org/10.1016/j.poly.2016.11.005

We report the excited state photophysics and photochemistry of [ReCl(CO)3(dppz-(CH3)2)] (dppz-(CH3)2 = 11,12-dimethyl-dipyrido[3,2-a:2’,3’-c]phenazine) in CH3CN using timeresolved infrared (TRIR) and Fourier transform infrared (FTIR) spectroscopy. Ex... Read More about Probing the use of long lived intra-ligand π-π * excited states for photocatalytic systems: a study of the photophysics and photochemistry of [ReCl(CO)3(dppz-(CH3)2)].

Emergence of comparable covalency in isostructural cerium(IV)- and uranium(IV)-carbon multiple bonds (2016)
Journal Article
Gregson, M., Lu, E., Tuna, F., McInnes, E. J. L., Hennig, C., Scheinost, A. C., …Liddle, S. T. (2016). Emergence of comparable covalency in isostructural cerium(IV)- and uranium(IV)-carbon multiple bonds. Chemical Science, 7(5), 3286-3297. https://doi.org/10.1039/C6SC00278A

We report comparable levels of covalency in cerium- and uranium-carbon multiple bonds in the isostructural carbene complexes [M(BIPMTMS)(ODipp)2] [M = Ce (1), U (2), Th (3); BIPMTMS = C(PPh2NSiMe3)2; Dipp = C6H3-2,6-Pri2] whereas for M = Th the M=C b... Read More about Emergence of comparable covalency in isostructural cerium(IV)- and uranium(IV)-carbon multiple bonds.

Isolation of Elusive HAsAsH in a Crystalline Diuranium(IV) Complex (2015)
Journal Article
Gardner, B. M., Balázs, G., Scheer, M., Wooles, A. J., Tuna, F., McInnes, E. J., …Liddle, S. T. (2015). Isolation of Elusive HAsAsH in a Crystalline Diuranium(IV) Complex. Angewandte Chemie International Edition, 54(50), 15250-15254. https://doi.org/10.1002/anie.201508600

The HAsAsH molecule has hitherto only been proposed tentatively as a short-lived species generated in electrochemical or microwave-plasma experiments. After two centuries of inconclusive or disproven claims of HAsAsH formation in the condensed phase,... Read More about Isolation of Elusive HAsAsH in a Crystalline Diuranium(IV) Complex.

An Inverted-Sandwich Diuranium μ-η5:η5-Cyclo-P5 Complex Supported by U-P5 δ-Bonding (2015)
Journal Article
Gardner, B. M., Tuna, F., McInnes, E. J., McMaster, J., Lewis, W., Blake, A. J., & Liddle, S. T. (2015). An Inverted-Sandwich Diuranium μ-η5:η5-Cyclo-P5 Complex Supported by U-P5 δ-Bonding. Angewandte Chemie International Edition, 54(24), 7068-7072. https://doi.org/10.1002/anie.201501728

© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Abstract Reaction of [U(TrenTIPS)] [1, TrenTIPS=N(CH2CH2NSiiPr3)3] with 0.25 equivalents of P4 reproducibly affords the unprecedented actinide inverted sandwich cyclo-P5 complex [{U(TrenTIPS)}2(μ-η... Read More about An Inverted-Sandwich Diuranium μ-η5:η5-Cyclo-P5 Complex Supported by U-P5 δ-Bonding.