All Outputs (37)

Organoruthenium Complexes Containing Phosphinodicarboxamide Ligands (2023)
Journal Article
Nolla-Saltiel, R., Geer, A. M., Sharpe, H. R., Huke, C. D., Taylor, L. J., Linford-Wood, T. G., …Kays, D. L. (2023). Organoruthenium Complexes Containing Phosphinodicarboxamide Ligands. Inorganics, 11(9), Article 372. https://doi.org/10.3390/inorganics11090372

Ruthenium complexes of 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(=O)N(R)C(=... Read More about Organoruthenium Complexes Containing Phosphinodicarboxamide Ligands.

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.

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.

Carbene?induced rescue of catalytic activity in deactivated Nitrite Reductase mutant (2020)
Journal Article
Planchestainer, M., Schulz, C., McMaster, J., Paradisi, F., & Albrecht, M. (2020). Carbene?induced rescue of catalytic activity in deactivated Nitrite Reductase mutant. Chemistry - A European Journal, 26(66), 15206-15211. https://doi.org/10.1002/chem.202002444

The role of His145 in the T1 copper center of Nitrite Reductase (NiR) is pivotal for the activity of the enzyme. Mutation to a glycine at this position enables the reconstitution of the T1 center by the addition of imidazole as exogenous ligands, how... Read More about Carbene?induced rescue of catalytic activity in deactivated Nitrite Reductase mutant.

A transition metal–gallium cluster formed via insertion of “GaI” (2020)
Journal Article
Blundell, T. J., Taylor, L. J., Valentine, A. J., Lewis, W., Blake, A. J., McMaster, J., & Kays, D. L. (2020). A transition metal–gallium cluster formed via insertion of “GaI”. Chemical Communications, 56(58), 8139-8142. https://doi.org/10.1039/d0cc03559a

The reaction between a two-coordinate Co(II) diaryl complex and “GaI” affords 2,6-Pmp2C6H3CoGa3I5, in a new geometry for a heavier group 13-transition metal cluster. Experimental and computational investigations show that this compound is best descri... Read More about A transition metal–gallium cluster formed via insertion of “GaI”.

Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions (2020)
Journal Article
Mangham, B., Hanson-Heine, M. W. D., Davies, E. S., Wriglesworth, A., George, M. W., Lewis, W., …Champness, N. R. (2020). Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions. Physical Chemistry Chemical Physics, 22(8), 4429-4438. https://doi.org/10.1039/c9cp06427c

This journal is © the Owner Societies. A strategy to create organic molecules with high degrees of radical spin multiplicity is reported in which molecular design is correlated with the behaviour of radical anions in a series of BODIPY dyads. Upon re... Read More about Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.

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.

Selective reduction and homologation of carbon monoxide by organometallic iron complexes (2018)
Journal Article
Sharpe, H. R., Geer, A. M., Taylor, L. J., Gridley, B. M., Blundell, T. J., Blake, A. J., …Kays, D. L. (2018). Selective reduction and homologation of carbon monoxide by organometallic iron complexes. Nature Communications, 9, Article 3757. https://doi.org/10.1038/s41467-018-06242-w

Carbon monoxide is a key C1 feedstock for the industrial production of hydrocarbons, where it is used to make millions of tonnes of chemicals, fuels, and solvents per annum. Many transition metal complexes can coordinate CO2 but the formation of new... Read More about Selective reduction and homologation of carbon monoxide by organometallic iron complexes.

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, 130(33), 10837-10842. https://doi.org/10.1002/ange.201807168

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?coordinating histidine (His) in the active site of the redox en... Read More about Carbene in Cupredoxin Protein Scaffolds: Replacement of a Histidine Ligand in the Active Site Substantially Alters Copper Redox Properties.

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., …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.

Perylene diimide triple helix formation in the solid-state (2018)
Journal Article
Haddow, S. L., Ring, D. J., Bagha, H., Pearce, N., Nowell, H., Blake, A. J., …Champness, N. R. (2018). Perylene diimide triple helix formation in the solid-state. Crystal Growth and Design, 18(2), https://doi.org/10.1021/acs.cgd.7b01268

The structural characterisation of single crystals of di-4-pyridyl-substituted 3,4,9,10-perylenetetracarboxylic diimide reveals a surprising triple helical arrangement. The intermolecular interactions that lead to such an arrangement are investigated... Read More about Perylene diimide triple helix formation in the solid-state.

Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads (2017)
Journal Article
Pearce, N., Davies, E. S., Horvath, R., Pfeiffer, C. R., Sun, X., Lewis, W., …Champness, N. R. (2018). Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads. Physical Chemistry Chemical Physics, 20(2), https://doi.org/10.1039/c7cp06952a

Varying the degree of thionation of a series of naphthalene diimide (NDI) and naphthalic imides (NI) phenothiazine dyad systems afford a systematic approach for tuning of the system’s donor-acceptor energy gap. Each dyad was compared to model NDI/NI... Read More about Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.

Core-substituted naphthalene diimides: influence of substituent conformation on strong visible absorption (2017)
Journal Article
Quinn, S., Davies, E. S., Pfeiffer, C. R., Lewis, W., McMaster, J., & Champness, N. R. (2017). Core-substituted naphthalene diimides: influence of substituent conformation on strong visible absorption. ChemPlusChem, 82(3), 489-492. https://doi.org/10.1002/cplu.201700059

Substitution of the aromatic core of naphthalene diimide (NDI) chromophores by morpholine leads to molecules with strong absorbance in the visible spectrum. The shift of absorption maxima to lower energy is determined not only by the degree of substi... Read More about Core-substituted naphthalene diimides: influence of substituent conformation on strong visible absorption.

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.