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Mechanistic Insights into Iron-Catalyzed C–H Bond Activation and C–C Coupling (2021)
Journal Article
Brewer, S. M., Schwartz, T. M., Mekhail, M. A., Turan, L. S., Prior, T. J., Hubin, T. J., …Green, K. N. (in press). Mechanistic Insights into Iron-Catalyzed C–H Bond Activation and C–C Coupling. Organometallics, https://doi.org/10.1021/acs.organomet.1c00211

Iron-catalyzed C–C coupling reactions of pyrrole provide a unique alternative to the traditional Pd-catalyzed counterpart. However, many details regarding the actual mechanism remain unknown. A series of macrocyclic iron(III) complexes were used to e... Read More about Mechanistic Insights into Iron-Catalyzed C–H Bond Activation and C–C Coupling.

Scandium calix[n]arenes (n= 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies (2021)
Journal Article
Alshamrani, A. F. A., Elsegood, M. R., Alamri, M. A., Stasiuk, G. J., Alshamrani, A. F., Santoro, O., …Redshaw, C. (2021). Scandium calix[n]arenes (n= 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies. Dalton transactions : an international journal of inorganic chemistry / RSoC, 50(24), 8302-8306. https://doi.org/10.1039/d1dt01330k

Interaction of [Sc(OR)3] (R = iPr or triflate) with p-tert-butylcalix[n]arenes, where n = 4, 6, or 8, affords a number of intriguing structural motifs, which are relatively non-toxic (cytotoxicity evaluated against cell lines HCT116 and HT-29) and a... Read More about Scandium calix[n]arenes (n= 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.

Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH2C6H4)2X] (X = CH2CH2, O): structural studies and ROP capability towards cyclic esters (2021)
Journal Article
Hughes, D. L., Wang, K., Prior, T. J., Hughes, D. L., Arbaoui, A., & Redshaw, C. (2021). Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH2C6H4)2X] (X = CH2CH2, O): structural studies and ROP capability towards cyclic esters. Dalton transactions : an international journal of inorganic chemistry / RSoC, 50(23), 8057-8069. https://doi.org/10.1039/d1dt00711d

Reaction of the [2 + 2] Schiff-base macrocycles {[2-(OH)-5-(R)-C6H2-1,3-(CH)2][CH2CH2(2-C6H4N)2]}2(R = Me, L1H2;tBu, L2H2) with FeBr2afforded the complexes [FeBr(L1H2)]2[(FeBr3)2O]·2MeCN (1·2MeCN), [FeBr(L2H2)][X] (X = 0.5(FeBr3)2O,2·0.5MeCN, X = Br,... Read More about Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH2C6H4)2X] (X = CH2CH2, O): structural studies and ROP capability towards cyclic esters.

Towards a morphology diagram for terrestrial carbonates: evaluating the impact of carbonate supersaturation and alginic acid in calcite precipitate morphology (2021)
Journal Article
Mercedes-Martín, R., Rogerson, M., Prior, T. J., Brasier, A. T., Reijmer, J. J., Billing, I., …Pedley, M. (2021). Towards a morphology diagram for terrestrial carbonates: evaluating the impact of carbonate supersaturation and alginic acid in calcite precipitate morphology. Geochimica et cosmochimica acta, 306, 340-361. https://doi.org/10.1016/j.gca.2021.04.010

Ancient and recent terrestrial carbonate-precipitating systems are characterised by a heterogeneous array of deposits volumetrically dominated by calcite. In these environments, calcite precipitates display an extraordinary morphological diversity, f... Read More about Towards a morphology diagram for terrestrial carbonates: evaluating the impact of carbonate supersaturation and alginic acid in calcite precipitate morphology.

A Single-Pot Template Reaction Towards a Manganese-Based T1 Contrast Agent (2021)
Journal Article
Hoffmann, S. H., Stasiuk, G. J., Martins, A. F., Botta, M., Prior, T. J., Price, T. W., …Anbu, S. (in press). A Single-Pot Template Reaction Towards a Manganese-Based T1 Contrast Agent. Angewandte Chemie, https://doi.org/10.1002/anie.202100885

Manganese-based contrast agents (MnCAs) have emerged as suitable alternatives to gadolinium-based contrast agents (GdCAs). However, due to their kinetic lability and laborious synthetic procedures, only a few MnCAs have found clinical MRI application... Read More about A Single-Pot Template Reaction Towards a Manganese-Based T1 Contrast Agent.

Emission and theoretical studies of Schiff-base [2+2] macrocycles derived from 2,2′-oxydianiline and zinc complexes thereof (2021)
Journal Article
Wang, K., Chen, K., Bian, T., Chao, Y., Yamato, T., Xing, F., …Redshaw, C. (2021). Emission and theoretical studies of Schiff-base [2+2] macrocycles derived from 2,2′-oxydianiline and zinc complexes thereof. Dyes and pigments : an international journal, 190, https://doi.org/10.1016/j.dyepig.2021.109300

The emission properties of a number of solvates of the [2+2] Schiff-base macrocycles {[2-(OH)-5-(R)-C6H2-1,3-(CH)2][O(2-C6H4N)2]}2 (R = Me L1H2, tBu L2H2, Cl L3H2), formed by reacting 2,6-dicarboxy-4-R-phenol with 2,2′-oxydianiline (2-aminophenylethe... Read More about Emission and theoretical studies of Schiff-base [2+2] macrocycles derived from 2,2′-oxydianiline and zinc complexes thereof.

Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters. (2021)
Journal Article
Xing, T., Prior, T. J., Chen, K., & Redshaw, C. (2021). Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters. Dalton transactions : an international journal of inorganic chemistry / RSoC, 50(12), 4396-4407. https://doi.org/10.1039/d1dt00189b

Reaction of excess [Ti(OiPr)4] with p-tert-butyltetrahomodioxacalix[6]areneH6 (L1H6) afforded, after work-up (MeCN), the complex [Ti2(OiPr)2(MeCN)L1]∙3.5MeCN (1∙3.5MeCN), whilst the oxo complex [Ti4(3-O)2(H2O)(L1)2]∙MeCN (2∙MeCN) was isolated via a... Read More about Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters..

A single-pot template reaction towards a manganese based T1 contrast agent (2021)
Journal Article
Anbu, S., Hoffmann, S. H. L., Carniato, F., Kenning, L., Price, T. W., Prior, T. J., …Stasiuk, G. J. (in press). A single-pot template reaction towards a manganese based T1 contrast agent. Angewandte Chemie International Edition, https://doi.org/10.1002/anie.202100885

Manganese‐based contrast agents (MnCAs) emerged as suitable alternatives to gadolinium‐based contrast agents (GdCAs). However, due to their kinetic lability and laborious synthetic procedures, only a few MnCAs have found clinical MRI application. In... Read More about A single-pot template reaction towards a manganese based T1 contrast agent.

Synthesis, characterisation and ROP catalytic evaluation of Cu(II) complexes bearing 2,2ʹ-diphenylglycine-derived moieties (2020)
Journal Article
Alshamrani, A. F. A., Santoro, O., Ounsworth, S., Prior, T. J., Stasiuk, G. J., & Redshaw, C. (2021). Synthesis, characterisation and ROP catalytic evaluation of Cu(II) complexes bearing 2,2ʹ-diphenylglycine-derived moieties. Polyhedron, 195, https://doi.org/10.1016/j.poly.2020.114977

The treatment of CuX2 (X = Cl, Br) with an equimolar amount of 2-2ʹ-diphenylglycine (DpgH) in EtOH at reflux afforded, after work up, the complexes [CuCl(Dpg)(EtOH)]2 (1) and [(CuBr2)2(Dpg)2Cu(EtOH)4] (2), respectively. The compounds were obtained mi... Read More about Synthesis, characterisation and ROP catalytic evaluation of Cu(II) complexes bearing 2,2ʹ-diphenylglycine-derived moieties.

Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization (2020)
Journal Article
Elsegood, M. R., Semikolenova, N. V., Soshnikov, I. E., Bryliakov, K., Xing, T., Prior, T. J., …Redshaw, C. (2021). Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization. Catalysis science & technology, 11(2), 624-636. https://doi.org/10.1039/d0cy01979h

Reaction of Na[VO(tBuO)4] (generated in-situ from VOCl3 and NaOtBu) with p-tert-butyltetrahomodioxacalix[6]areneH6 (L1H6) afforded, after work-up (in MeCN), the mixed-metal complex [(VO)2(μ-O)Na2(L1)(MeCN)4]·5(MeCN) (1·5MeCN), whilst the oxo complex... Read More about Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization.

Iron(III), cobalt(II) and zinc(II) coordination compounds with a carboximidamide ligand: Synthesis, structures and properties (2020)
Journal Article
Eya'ane Meva, F., Prior, T. J., Evans, D. J., Shah, S., & Cespedes, O. (2020). Iron(III), cobalt(II) and zinc(II) coordination compounds with a carboximidamide ligand: Synthesis, structures and properties. Inorganic Chemistry Communications, 121, https://doi.org/10.1016/j.inoche.2020.108196

Coordination complexes of iron(III), cobalt(II) and zinc(II) with the ligand N′-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide (pmhpa) have been synthesised and were structurally characterized by elemental analysis, mass spectrometry,... Read More about Iron(III), cobalt(II) and zinc(II) coordination compounds with a carboximidamide ligand: Synthesis, structures and properties.

Rare-earth metal complexes derived from the acids Ph2C(X)CO2H (X= OH, NH2): Structural and ring opening polymerization (ROP) studies. (2020)
Journal Article
Collins, J., Santoro, O., Prior, T. J., Chen, K., & Redshaw, C. (2021). Rare-earth metal complexes derived from the acids Ph2C(X)CO2H (X= OH, NH2): Structural and ring opening polymerization (ROP) studies. Journal of molecular structure, 1224, https://doi.org/10.1016/j.molstruc.2020.129083

Treatment of Ln(NO3)3.6H2O (Ln = La, Ce) with an equimolar amount of 2,2’-diphenylglycine (DpgH) in ethanol afforded the corresponding hexacoordinated complexes (DpgH±)3Ln(NO3)3.H2O (DpgH± = zwitterionic 2,2’-diphenylglycine, Ln = La (1), Ce (2)). Th... Read More about Rare-earth metal complexes derived from the acids Ph2C(X)CO2H (X= OH, NH2): Structural and ring opening polymerization (ROP) studies..

Mechanistic in situ and ex situ studies of phase transformations in molecular co-crystals (2020)
Journal Article
Clout, A. E., Buanz, A. B., Pang, Y., Tsui, W. M., Yan, D., Parkinson, G., …Williams, G. R. (2020). Mechanistic in situ and ex situ studies of phase transformations in molecular co-crystals. Chemistry : a European journal, 26(64), 14645-14653. https://doi.org/10.1002/chem.202002267

Co‐crystallisation is widely explored as a route to improve the physical properties of pharmaceutical active ingredients, but little is known about the fundamental mechanisms of the process. Herein, we apply a hyphenated differential scanning calorim... Read More about Mechanistic in situ and ex situ studies of phase transformations in molecular co-crystals.

Homo‐ and heterodinuclear arene‐linked osmium(II) and ruthenium(II) organometallics: probing the impact of metal variation on reactivity and biological activity (2020)
Journal Article
Wilson, C. S., Prior, T. J., Sandland, J., Savoie, H., Boyle, R. W., & Murray, B. S. (in press). Homo‐ and heterodinuclear arene‐linked osmium(II) and ruthenium(II) organometallics: probing the impact of metal variation on reactivity and biological activity. Chemistry : a European journal, https://doi.org/10.1002/chem.202002052

Dinuclear metallodrugs offer much potential in the development of novel anticancer chemotherapeutics as a result of the distinct interactions possible with biomacromolecular targets and the unique biological activity that can result. Here, we describ... Read More about Homo‐ and heterodinuclear arene‐linked osmium(II) and ruthenium(II) organometallics: probing the impact of metal variation on reactivity and biological activity.

An ethylene cross-bridged pentaazamacrocycle and its Cu2+ complex: constrained ligand topology and excellent kinetic stability (2020)
Journal Article
Allbritton, E. M., Shircliff, A. D., Burke, B. P., Davilla, D. J., Burgess, G. E., Okorocha, F. A., …Hubin, T. J. (2020). An ethylene cross-bridged pentaazamacrocycle and its Cu2+ complex: constrained ligand topology and excellent kinetic stability. Chemical communications : Chem comm / the Royal Society of Chemistry, 56(54), 7519-7522. https://doi.org/10.1039/d0cc00919a

Rigid and topologically constrained ethylene cross-bridged tetraazamacrocycles have been increasingly utilised for thirty years as they form remarkably stable transition metal complexes for catalysis, biomedical imaging, and inorganic drug molecule a... Read More about An ethylene cross-bridged pentaazamacrocycle and its Cu2+ complex: constrained ligand topology and excellent kinetic stability.

Water-Soluble Rhenium Phosphine Complexes Incorporating the Ph2C(X) Motif (X = O–, NH–): Structural and Cytotoxicity Studies (2020)
Journal Article
Alshamrani, A. F., Prior, T. J., Burke, B. P., Roberts, D. P., Archibald, S. J., Higham, L. J., …Redshaw, C. (2020). Water-Soluble Rhenium Phosphine Complexes Incorporating the Ph2C(X) Motif (X = O–, NH–): Structural and Cytotoxicity Studies. Inorganic chemistry, 59(4), 2367-2378. https://doi.org/10.1021/acs.inorgchem.9b03239

Reaction of [ReOCl3(PPh3)2] or [ReO2I(PPh3)2] with 2,2′-diphenylglycine (dpgH2) in refluxing ethanol afforded the air-stable complex [ReO(dpgH)(dpg)(PPh3)] (1). Treatment of [ReO(OEt)I2(PPh3)2] with 1,2,3-triaza-7-phosphaadamantane (PTA) afforded the... Read More about Water-Soluble Rhenium Phosphine Complexes Incorporating the Ph2C(X) Motif (X = O–, NH–): Structural and Cytotoxicity Studies.

The Application of Reversible Intramolecular Sulfonamide Ligation to Modulate Reactivity in Organometallic Ruthenium(II) Diamine Complexes (2020)
Journal Article
Kemp, S. A., Kemp, S. A., Prior, T. J., Savoie, H., Boyle, R. W., & Murray, B. S. (2020). The Application of Reversible Intramolecular Sulfonamide Ligation to Modulate Reactivity in Organometallic Ruthenium(II) Diamine Complexes. Molecules, 25(2), 244. https://doi.org/10.3390/molecules25020244

Metallation of biomacromolecular species forms the basis for the anticancer activity of many metallodrugs. A major limitation of these compounds is that their reactivity is indiscriminate and can, in principle, occur in healthy tissue as well as canc... Read More about The Application of Reversible Intramolecular Sulfonamide Ligation to Modulate Reactivity in Organometallic Ruthenium(II) Diamine Complexes.

What Causes Carbonates to Form “Shrubby” Morphologies? An Anthropocene Limestone Case Study (2019)
Journal Article
Bastianini, L., Rogerson, M., Mercedes-Martín, R., Prior, T. J., Cesar, E. A., & Mayes, W. M. (2019). What Causes Carbonates to Form “Shrubby” Morphologies? An Anthropocene Limestone Case Study. Frontiers in Earth Science, 7, https://doi.org/10.3389/feart.2019.00236

The South Atlantic Aptian “Pre-Salt” shrubby carbonate successions offshore Brazil and Angola are of major interest due to their potential hydrocarbon accumulations. Although the general sedimentology of these deposits is widely recognized to be with... Read More about What Causes Carbonates to Form “Shrubby” Morphologies? An Anthropocene Limestone Case Study.

Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids (2019)
Journal Article
Meundaeng, N., Prior, T. J., & Rujiwatra, A. (2019). Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids. Acta Crystallographica Section C: Structural Chemistry, 75(9), 1319-1326. https://doi.org/10.1107/S2053229619011525

The crystal structures of five new transition-metal complexes synthesized using thia­zole-2-carb­oxy­lic acid (2-Htza), imidazole-2-carb­oxy­lic acid (2-H2ima) or 1,3-oxazole-4-carb­oxy­lic acid (4-Hoxa), namely di­aqua­bis­(thia­zole-2-carboxyl­ato-... Read More about Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids.

Study of the host-guest interaction between: N, N ′-bis[4-(dimethylaminophenyl)methyl]butane-1,4-diamine and the cucuribit [n] urils (n = 6, 7) (2019)
Journal Article
Xiao, Z., Zhou, Y., Xu, W., Prior, T. J., Bian, B., Redshaw, C., …Xiao, X. (2019). Study of the host-guest interaction between: N, N ′-bis[4-(dimethylaminophenyl)methyl]butane-1,4-diamine and the cucuribit [n] urils (n = 6, 7). New journal of chemistry = Nouveau journal de chimie, 43(37), 14938-14943 . https://doi.org/10.1039/c9nj03254a

The interaction between the cucuribit[n]urils (Q[n]), where n = 6 or 7, and the guest N,N/-bis[4-(dimethylaminophenyl)methyl]butane-1,4-diamine (G) has been studied in aqueous solution by 1H NMR spectroscopy, electronic absorption spectroscopy and Is... Read More about Study of the host-guest interaction between: N, N ′-bis[4-(dimethylaminophenyl)methyl]butane-1,4-diamine and the cucuribit [n] urils (n = 6, 7).