In crystallo lattice adaptivity triggered by solid-gas reactions of cationic group 7 pincer complexesElectronic supplementary information (ESI) available: CCDC 2271683–2271688 and 2271690. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d3cc03201a

Authors: Goodall, Joe C., Sajjad, M. Arif, Thompson, Emily A., Page, Samuel J., Kerrigan, Adam M., Jenkins, Huw T., Lynam, Jason M., Macgregor, Stuart A., Weller, Andrew S.

Source: Chemical communications. 59(72):10749-10752

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Manipulate – techniques to manipulate the surroundings of a synthetic catalyst to control activity and selectivity: general discussion

Authors: Beweries, Torsten, Buchmeiser, Michael R., Champness, Neil R., Costas, Miquel, Duhme-Klair, Anne, Echeverría, Jorge, Eisenstein, Odile, Ferguson, Calum T. J., Goodall, Joe C., Gramage-Doria, Rafael, Gyton, Matthew, Ham, Rens, Herres-Pawlis, Sonja, Johnson, Chloe L., Kennepohl, Pierre, Lewandowski, Bartosz, Linnebank, Pim R., Macgregor, Stuart A., Mahmudov, Kamran T., Meeus, Eva, Navarro, Miquel, Ntola, Pinkie, Parac-Vogt, Tatjana N., Perutz, Robin N., Poater, Albert, Powers, David C., Pullen, Sonja, Raithby, Paul R., Reek, Joost N. H., Ward, Thomas R., Weller, Andrew S., Wennemers, Helma

Source: Faraday discussions. 244:96-118

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Model – state-of-the-art modelling and computational analysis of reactive sites: general discussion

Authors: Chanbasha, Basheer, Costas, Miquel, Echeverría, Jorge, Eisenstein, Odile, Greenhalgh, Mark, Kennepohl, Pierre, Kirrander, Adam, Linnebank, Pim R., Macgregor, Stuart A., Mahmudov, Kamran T., Martín-Fernández, Carlos, Meeus, Eva, Morris, Josh, Perutz, Robin N., Poater, Albert, Reek, Joost N. H., Rouse, Ian, Toste, Dean, Trujillo, Cristina, Ward, Thomas R., Weinstein, Julia A., Weller, Andrew S.

Source: Faraday discussions. 244:336-355

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Measure – understanding of structural and electronic changes occurring within the relevant timescale of catalytic systems: general discussion

Authors: Altus, Kristof M., Beweries, Torsten, Champness, Neil R., Duhme-Klair, Anne, Eisenstein, Odile, Ham, Rens, Hatcher, Lauren E., Herres-Pawlis, Sonja, Johnson, Chloe L., Kennepohl, Pierre, Linnebank, Pim R., Liu, Wei-Chun, Macgregor, Stuart A., Mahmudov, Kamran T., Martín-Fernández, Carlos, Ntola, Pinkie, Perutz, Robin N., Raithby, Paul R., Reek, Joost N. H., Weinstein, Julia A., Weller, Andrew S.

Source: Faraday discussions. 244:210-221

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100190022616.0x000001&indx=1&recIds=ETOCvdc_100190022616.0x000001

Make – underpinning concepts of the synthesis of systems where non-covalent interactions are important: general discussion

Authors: Beweries, Torsten, Buchmeiser, Michael R., Bugden, Frances E., Champness, Neil R., Chanbasha, Basheer, Costas, Miquel, Echeverria, Jorge, Eisenstein, Odile, Ferguson, Calum, Goodall, Joe C., Gramage-Doria, Rafael, Greenhalgh, Mark, Gyton, Matthew, Ham, Rens, Kennepohl, Pierre, Lewandowski, Bartosz, Liu, Wei-Chun, Macgregor, Stuart A., Mahmudov, Kamran T., Meeus, Eva, Morris, Josh, Ntola, Pinkie, Parac-Vogt, Tatjana N., Perutz, Robin N., Poater, Albert, Powers, David, Raithby, Paul R., Reek, Joost N. H., Riddell, Imogen, Ward, Thomas R., Weller, Andrew S., Wennemers, Helma

Source: Faraday discussions. 244:434-454

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A comparison of non-covalent interactions in the crystal structures of two σ-alkane complexes of Rh exhibiting contrasting stabilities in the solid stateElectronic supplementary information (ESI) available: Full computational details and references, computed Cartesian coordinates, tables and images for QTAIM and IGMH calculations. See DOI: https://doi.org/10.1039/d3fd00009e

Authors: Sajjad, M. Arif, Macgregor, Stuart A., Weller, Andrew S.

Source: Faraday discussions. 244:222-240

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100190022638.0x000001&indx=1&recIds=ETOCvdc_100190022638.0x000001

Mechanistic Insights into Molecular Crystalline Organometallic Heterogeneous Catalysis through Parahydrogen-Based Nuclear Magnetic Resonance Studies

Authors: Gyton, Matthew R., Royle, Cameron G., Beaumont, Simon K., Duckett, Simon B., Weller, Andrew S.

Source: Journal of the American Chemical Society. 145(4):2619-2629

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MicroED characterization of a robust cationic σ-alkane complex stabilized by the [B(3, 5-(SF5)2C6H3)4]− anion, via on-grid solid/gas single-crystal to single-crystal reactivityElectronic supplementary information (ESI) available: Full details of experimental and computational methods, CIF for the reported structures and coordinates for computed structures. CCDC 2126160, 2126161, 2126935, 2126936 and 2126937. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/d2dt00335j

Authors: Doyle, Laurence R., Thompson, Emily A., Burnage, Arron L., Whitwood, Adrian C., Jenkins, Huw T., Macgregor, Stuart A., Weller, Andrew S.

Source: Dalton transactions. 51(9):3661-3665

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100142194146.0x000001&indx=1&recIds=ETOCvdc_100142194146.0x000001

Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2Electronic supplementary information (ESI) available: Full experimental details, NMR spectra, crystallographic data and computational results. CCDC 2155445–2155449. For ESI and crystallographic data in CIF or other electronic format see https://doi.org/10.1039/d2sc02552c

Authors: Townrow, Oliver P. E., Duckett, Simon B., Weller, Andrew S., Goicoechea, Jose M.

Source: Chemical science. 13(25):7626-7633

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Room Temperature Ethene to Propene (ETP) Tandem Catalysis using Single Crystalline Solid‐State Molecular Pre‐Catalysts.

Authors: Altus, Kristof M.¹, Shi, Yiping², Probst, Patrick³, Heaton, Jack H.¹, Gyton, Matthew R.¹, Lari, Leonardo⁴, Buchmeiser, Michael R.³, michael.buchmeiser@ipoc.uni-stuttgart.de, Dyer, Philip W.², p.w.dyer@durham.ac.uk, Weller, Andrew S.¹, andrew.weller@york.ac.uk

Source: Angewandte Chemie; 3/3/2025, Vol. 137 Issue 10, p1-6, 6p

Selective PNP Pincer-Ir-Promoted Acceptorless Transformation of Glycerol to Lactic Acid and Hydrogen.

Authors: Vikas, Kathuria, Lakshay, Brodie, Claire N., Cross, Mathew J., Pasha, Farhan Ahmad, Weller, Andrew S., Kumar, Akshai

Source: Inorganic Chemistry; 3/3/2025, Vol. 64 Issue 8, p3760-3770, 11p

Conversion of butanol to propene in flow: A triple dehydration, isomerisation and metathesis cascade

Authors: Shi, Yiping, Weller, Andrew S., Blacker, A. John, Dyer, Philip W.

Source: In Catalysis Communications April 2022 164

Cluster expansion and vertex substitution pathways in nickel germanide Zintl clustersElectronic supplementary information (ESI) available: Experimental details, analytical data, spectra and computational methods. CCDC 2087498 and 2087499. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/d1cc02912f

Authors: Townrow, Oliver P. E., Weller, Andrew S., Goicoechea, Jose M.

Source: Chemical communications. 57(58):7132-7135

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100123543091.0x000001&indx=1&recIds=ETOCvdc_100123543091.0x000001

Ortho-aryl substituted DPEphos ligands: rhodium complexes featuring C–H anagostic interactions and B–H agostic bondsElectronic supplementary information (ESI) available. CCDC 2064124–2064130. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/d1sc01430g

Authors: Race, James J., Burnage, Arron L., Boyd, Timothy M., Heyam, Alex, Martínez-Martínez, Antonio J., Macgregor, Stuart A., Weller, Andrew S.

Source: Chemical science. 12(25):8832-8843

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100122423003.0x000001&indx=1&recIds=ETOCvdc_100122423003.0x000001

Selectivity of Rh⋅⋅⋅H−C Binding in a σ‐Alkane Complex Controlled by the Secondary Microenvironment in the Solid State

Authors: Furfari, Samantha K., Tegner, Bengt E., Burnage, Arron L., Doyle, Laurence R., Bukvic, Alexander J., Macgregor, Stuart A., Weller, Andrew S.

Source: Chemistry. 27(9):3177-3183

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100114566619.0x000001&indx=1&recIds=ETOCvdc_100114566619.0x000001

Η2-Alkene Complexes of [Rh(PONOP-iPr)(L)]+ Cations (L = COD, NBD, Ethene). Intramolecular Alkene-Assisted Hydrogenation and Dihydrogen Complex [Rh(PONOP-iPr)(η-H2)]+

Authors: Johnson, Alice, Royle, Cameron G., Brodie, Claire N., Martínez-Martínez, Antonio J., Duckett, Simon B., Weller, Andrew S.

Source: Inorganic chemistry. 60(18):13903-13912

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN633281553&indx=1&recIds=ETOCRN633281553

Solid‐State Confinement Effects in Selective exo‐H/D Exchange in the Rhodium σ‐Norbornane Complex [(Cy2PCH2CH2PCy2)Rh(η2:η2‐C7H12)][BArF4]

Authors: Krämer, Tobias, Chadwick, F. Mark, Macgregor, Stuart A., Weller, Andrew S.

Source: Helvetica chimica acta. 106(2)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100183651054.0x000001&indx=1&recIds=ETOCvdc_100183651054.0x000001

Polyphosphinoborane Block Copolymer Synthesis Using Catalytic Reversible Chain‐Transfer Dehydropolymerization

Authors: Race, James J., Heyam, Alex, Wiebe, Matthew A., Diego‐Garcia Hernandez, J., Ellis, Charlotte E., Lei, Shixing, Manners, Ian, Weller, Andrew S.

Source: Angewandte Chemie. 135(3)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100170807475.0x000001&indx=1&recIds=ETOCvdc_100170807475.0x000001

The [Rh(Xantphos)]+ catalyzed hydroboration of diphenylacetylene using trimethylamine-borane

Authors: Dietz, Maximilian, Johnson, Alice, Martínez-Martínez, Antonio, Weller, Andrew S.

Source: In Inorganica Chimica Acta 1 June 2019 491:9-13

Solid/Gas In CrystalloReactivity of an Ir(I) Methylidene Complex

Authors: Altus, Kristof M., Sajjad, M. Arif, Gyton, Matthew R., Whitwood, Adrian C., Page, Samuel J., Macgregor, Stuart A., Weller, Andrew S.

Source: Organometallics; December 2024, Vol. 43 Issue: 24 p3137-3142, 6p