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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.

Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN2S and [9]aneNS2 towards silver(I) (2022)
Journal Article
Blake, A. J., Lippolis, V., & Schroder, M. (2022). Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN2S and [9]aneNS2 towards silver(I). Acta Crystallographica Section C: Structural Chemistry, 78(3), 169-175. https://doi.org/10.1107/s205322962200105x

The coordination chemistry towards silver(I) of the small-ring macrocycles [9]aneN2S (1-thia-4,7-diazacyclononane) and [9]aneNS2 (1,4-dithia-7-azacyclo-nonane) incorporating nitrile-functionalized pendant arms is considered both in the presence and t... Read More about Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN2S and [9]aneNS2 towards silver(I).

Selective Gas Uptake and Rotational Dynamics in a (3,24)-Connected Metal–Organic Framework Material (2021)
Journal Article
Trenholme, W. J., Kolokolov, D. I., Bound, M., Argent, S. P., Gould, J. A., Li, J., …Schröder, M. (2021). Selective Gas Uptake and Rotational Dynamics in a (3,24)-Connected Metal–Organic Framework Material. Journal of the American Chemical Society, 143(9), 3348–3358. https://doi.org/10.1021/jacs.0c11202

The desolvated (3,24)-connected metal-organic framework (MOF) material, MFM-160a, [Cu3(L)(H2O)3] [H6L = 1,3,5-triazine-2,4,6-tris(aminophenyl-4-isophthalic acid)] exhibits excellent high pressure uptake of CO2 (110 wt% at 20 bar, 298 K) and highly se... Read More about Selective Gas Uptake and Rotational Dynamics in a (3,24)-Connected Metal–Organic Framework Material.

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”.

Iron(II)-catalyzed hydroamination of isocyanates (2019)
Journal Article
South, A. J., Geer, A. M., Taylor, L. J., Sharpe, H. R., Lewis, W., Blake, A. J., & Kays, D. L. (2019). Iron(II)-catalyzed hydroamination of isocyanates. Organometallics, 38(21), 4115-4120. https://doi.org/10.1021/acs.organomet.9b00393

A two-coordinate Fe(II) m-terphenyl complex acts as a precatalyst for the hydroamination of isocyanates, affording urea and biuret derivatives, with product selectivity accomplished via modification of the reaction conditions. Using a more nucleophil... Read More about Iron(II)-catalyzed hydroamination of isocyanates.

A Highly Active Bidentate Magnesium Catalyst for Amine‐Borane Dehydrocoupling: Kinetic and Mechanistic Studies (2019)
Journal Article
Ried, A., Taylor, L., Geer, A., Williams, H., Lewis, W., Blake, A., & Kays, D. L. (2019). A Highly Active Bidentate Magnesium Catalyst for Amine‐Borane Dehydrocoupling: Kinetic and Mechanistic Studies. Chemistry - A European Journal, 25(27), 6840-6846. https://doi.org/10.1002/chem.201901197

A magnesium complex (1) featuring a bidentate aminopyridinato ligand is a remarkably selective catalyst for the dehydrocoupling of amine-boranes. This reaction proceeds to completion with low catalyst loadings (1 mol%) und... Read More about A Highly Active Bidentate Magnesium Catalyst for Amine‐Borane Dehydrocoupling: Kinetic and Mechanistic Studies.

Unequivocal experimental evidence of the relationship between emission energies and aurophilic interactions (2019)
Journal Article
Blake, A. J., Donamaría, R., Lippolis, V., López-de-Luzuriaga, J. M., Monge, M., Olmos, M. E., …Weinstein, J. A. (2019). Unequivocal experimental evidence of the relationship between emission energies and aurophilic interactions. Inorganic Chemistry, 58(8), 4954-4961. https://doi.org/10.1021/acs.inorgchem.8b03621

In this paper we describe experimental evidence of the change in emission energy as a function of gold-gold distance. We have employed a luminescent complex exhibiting an aurophilic interaction, which is weak enough to allow its length to be modifie... Read More about Unequivocal experimental evidence of the relationship between emission energies and aurophilic interactions.

Host–guest selectivity in a series of isoreticular metal–organic frameworks: observation of acetylene-to-alkyne and carbon dioxide-to-amide interactions (2018)
Journal Article
Humby, J. D., Benson, O., Smith, G. L., Argent, S. P., da Silva, I., Cheng, Y., …Schröder, M. (2018). Host–guest selectivity in a series of isoreticular metal–organic frameworks: observation of acetylene-to-alkyne and carbon dioxide-to-amide interactions. Chemical Science, 10(4), 1098-1106. https://doi.org/10.1039/c8sc03622e

In order to develop new porous materials for applications in gas separations such as natural gas upgrading, landfill gas processing and acetylene purification it is vital to gain understanding of host-substrate interactions at a molecular level. Here... Read More about Host–guest selectivity in a series of isoreticular metal–organic frameworks: observation of acetylene-to-alkyne and carbon dioxide-to-amide interactions.

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.

An eight-coordinate zinc complex containing the highly pre-organized ligand 1,10-phenanthroline-2,9-dicarboxylic acid: solvothermal synthesis, supramolecular structure and CSD studies (2018)
Journal Article
Mirzaei, M., Hassanpoor, A., Alizadeh, H., Gohari, M., & Blake, A. J. (2018). An eight-coordinate zinc complex containing the highly pre-organized ligand 1,10-phenanthroline-2,9-dicarboxylic acid: solvothermal synthesis, supramolecular structure and CSD studies. Journal of Molecular Structure, 1171, https://doi.org/10.1016/j.molstruc.2018.06.063

A new anionic coordination complex of Zn(II) containing the highly pre-organized ligand 1,10-phenanthroline-2,9-dicarboxylate (PDA), (H3O)2[Zn(PDA)2]·2CH3NO2·2H2O·(1), has been synthesized by solvothermal methods and characterized by elemental analys... Read More about An eight-coordinate zinc complex containing the highly pre-organized ligand 1,10-phenanthroline-2,9-dicarboxylic acid: solvothermal synthesis, supramolecular structure and CSD studies.

Cu(ii) complexes of a tridentate N,N,O-donor Schiff base of pyridoxal: synthesis, X-ray structures, DNA-binding properties and catecholase activity (2018)
Journal Article
Mondal, S., Chakraborty, M., Mondal, A., Pakhira, B., Blake, A. J., Sinn, E., & Chattopadhyay, S. K. (2018). Cu(ii) complexes of a tridentate N,N,O-donor Schiff base of pyridoxal: synthesis, X-ray structures, DNA-binding properties and catecholase activity. New Journal of Chemistry, 42(12), https://doi.org/10.1039/C8NJ00418H

Two new Cu(II) complexes [Cu(L1)(N3)](1) and [Cu(L1)(NCS)]n(2), where HL1 ((E)-4-((2(dimethylamino)ethylimino)methyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol) is a N,N,O-donor Schiff base ligand, have been synthesized. These complexes were characteriz... Read More about Cu(ii) complexes of a tridentate N,N,O-donor Schiff base of pyridoxal: synthesis, X-ray structures, DNA-binding properties and catecholase activity.

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.

Unusual and tunable negative linear compressibility in the metal–organic framework MFM-133(M)(M = Zr, Hf) (2018)
Journal Article
Yan, Y., O'Connor, A. E., Kanthasamy, G., Atkinson, G., Allan, D. R., Blake, A. J., & Schröder, M. (in press). Unusual and tunable negative linear compressibility in the metal–organic framework MFM-133(M)(M = Zr, Hf). Journal of the American Chemical Society, https://doi.org/10.1021/jacs.7b11747

High pressure single-crystal X-ray structural analyses of isostructural MFM-133(M) (M = Zr, Hf) of flu topology and incorporating the tetracarboxylate ligand TCHB4– [H4TCHB = 3,3',5,5'-tetrakis(4-carboxyphenyl)-2,2',4,4',6,6'-hexamethyl-1,1'-biphenyl... Read More about Unusual and tunable negative linear compressibility in the metal–organic framework MFM-133(M)(M = Zr, Hf).

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.

Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes (2018)
Journal Article
Nolla-Saltiel, R., Geer, A. M., Lewis, W., Blake, A. J., & Kays, D. L. (2018). Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes. Chemical Communications, 54(15), https://doi.org/10.1039/c7cc08385h

Group 1 salts containing carbazolido NNN pincer ligands are precatalysts for the dehydrogenation of Me2NH·BH3. NMR monitoring and DOSY studies show a heavy dependence on the metal and solvent, allowing in some cases selective formation of dehydrogena... Read More about Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes.

Dehydrocoupling of dimethylamine-borane promoted by manganese(II) m-terphenyl complexes (2017)
Journal Article
Sharpe, H. R., Geer, A. M., Blundell, T. J., Hastings, F. R., Fay, M. W., Rance, G. A., …Kays, D. L. (in press). Dehydrocoupling of dimethylamine-borane promoted by manganese(II) m-terphenyl complexes. Catalysis Science and Technology, 8(1), https://doi.org/10.1039/C7CY02086D

Two- and three-coordinate manganese m-terphenyl complexes are precatalysts for the dehydrogenation of dimethylamine-borane (Me2NH·BH3) affording one equivalent of molecular hydrogen and half an equivalent of [Me2N–BH2]2. Experimental studies into the... Read More about Dehydrocoupling of dimethylamine-borane promoted by manganese(II) m-terphenyl complexes.

Total synthesis of (−)-aritasone via the ultra-high pressure hetero-Diels–Alder dimerisation of (−)-pinocarvone (2017)
Journal Article
Uroos, M., Pitt, P., Harwood, L., Lewis, W., Blake, A. J., & Hayes, C. J. (in press). Total synthesis of (−)-aritasone via the ultra-high pressure hetero-Diels–Alder dimerisation of (−)-pinocarvone. Organic and Biomolecular Chemistry, 15(40), https://doi.org/10.1039/C7OB02204B

This paper describes a total synthesis of the terpene-derived natural product aritasone via the hetero-Diels-Alder [4+2] cyclodimerisation of pinocarvove, which represents the proposed biosyntheic route. The hetero-Diels-Alder dimerisation of pinoca... Read More about Total synthesis of (−)-aritasone via the ultra-high pressure hetero-Diels–Alder dimerisation of (−)-pinocarvone.

Halogen-substituted ureas for anion binding: solid state and solution studies (2017)
Journal Article
Casula, A., Fornasier, M., Montis, R., Bettoschi, A., Argent, S. P., Blake, A. J., …Caltagirone, C. (in press). Halogen-substituted ureas for anion binding: solid state and solution studies. Supramolecular Chemistry, https://doi.org/10.1080/10610278.2017.1377343

Herein, we report the synthesis and the anion binding properties of a family of N,N′-diphenylureas L1-L15, bearing on the aromatic ring(s) halogens (chlorine and iodine) and/or nitro or trifluoromethyl electron-withdrawing groups. The analysis of the... Read More about Halogen-substituted ureas for anion binding: solid state and solution studies.

Porous metal–organic polyhedral frameworks with optimal molecular dynamics and pore geometry for methane storage (2017)
Journal Article
Yan, Y., Kolokolov, D. I., da Silva, I., Stepanov, A. G., Blake, A. J., Dailly, A., …Schröder, M. (2017). Porous metal–organic polyhedral frameworks with optimal molecular dynamics and pore geometry for methane storage. Journal of the American Chemical Society, 139(38), 13349-13360. https://doi.org/10.1021/jacs.7b05453

Natural gas (methane, CH4) is widely considered as a promising energy carrier for mobile applications. Maximising the storage capacity is the primary goal for the design of future storage media. Here we report the CH4 storage properties in a family o... Read More about Porous metal–organic polyhedral frameworks with optimal molecular dynamics and pore geometry for methane storage.

Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S (2017)
Journal Article
Silaghi-Dumitrescu, L., Attia, A. A., Silaghi-Dumitrescu, R., Blake, A. J., & Sowerby, D. B. (2018). Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S. Inorganica Chimica Acta, 475, 120-126. https://doi.org/10.1016/j.ica.2017.08.052

Bromination of (AsPh2)2S leads to cleavage of the sulfide bridge to give AsPh2Br when 1 mol of bromine is used but with 2 mols the product is the polybromide, [AsPh2Br2]2[Br8], containing the previously unknown [AsPh2Br2]+ cation and a rare [(Br3)−…(... Read More about Supramolecular architecture of [AsPh2Br2]2[(Br3)−…(Br2)…(Br3)−] obtained by bromination of (AsPh2)2S.