Publications and Further Research Outputs
Peer-Reviewed Publications
Allen J., Kramer T., Barnes L.G., Hawker R.R., Singh K., Kilpatrick A.F.R., Organozinc ß-Thioketiminate Complexes and Their Application in Ketone Hydroboration Catalysis, Organometallics, 44, (6), 2025, p749 - 759, p749-759
Messori A., Potocnik M., Belazregue S., Collins R., Kramer T., Chadwick F.M., PCP and POCOP complexes of calcium, Chemical Communications, 61, (43), 2025, p7827 - 7830, p7827-7830
Byrne K.M., Hicks J., Griffin L.P., Aldridge S., Kramer T., Hydride Rebound: A Frustrated Lewis Pair (FLP)-Type Cooperative Mechanism for H2 Activation by a Potassium Aluminyl Compound, Chemistry - A European Journal, 31, (11), 2025
Horsley Downie T.M., Byrne K.M., Kennedy A.R., Macdonald P.A., Shanfrezan D.S., Thomson A., Kramer T., Mulvey R.E., Robertson S.D., Isomeric Effects in Lithium Dihydropyridinate Chemistry: The Privileged Status of the tert-Butyl Isomer, Chemistry - A European Journal, 31, (24), 2025
Byrne K.M., Robertson S.D., Mulvey R.E., Kramer T., Mechanistic Insight into Alkali-Metal-Mediation of Styrene Transfer Hydrogenation: A DFT Study, ChemCatChem, 16, (19), 2024
Debnath S., Laxmi S., McCubbin Stepanic O., Quek S.Y., van Gastel M., DeBeer S., Kramer T., England J., A Four-Coordinate End-On Superoxocopper(II) Complex: Probing the Link between Coordination Number and Reactivity, Journal of the American Chemical Society, 146, (34), 2024, p23704 - 23716, p23704-23716
Byrne K.M., Bjornsson R., Kramer T., The diradicaloid electronic structure of dialumenes: a benchmark study at the Full-CI limit, Physical Chemistry Chemical Physics, 26, (48), 2024, p30018 - 30034, p30018-30034
Stadler B., Meng H.H.Y., Belazregue S., Webster L., Collauto A., Byrne K.M., Kramer T., Chadwick F.M., PCP Pincer Complexes of Titanium in the +3 and +4 Oxidation States, Organometallics, 42, (12), 2023, p1278 - 1285, p1278-1285
Guin S.K., Kramer T., Dempsey E., A single-step enzyme-free electrochemical assay of N-acetyl-D-neuraminic acid, Electrochimica Acta, 460, 2023
Coughlin O., Kramer T., Benjamin S.L., Cationic Triarylchlorostibonium Lewis Acids, Organometallics, 42, (5), 2023, p339 - 346, p339-346
Kramer T., Gyton M.R., Bustos I., Sinclair M.J.G., Tan S.-Y., Wedge C.J., Macgregor S.A., Chaplin A.B., Stability and C-H Bond Activation Reactions of Palladium(I) and Platinum(I) Metalloradicals: Carbon-to-Metal H-Atom Transfer and an Organometallic Radical Rebound Mechanism, Journal of the American Chemical Society, 145, (25), 2023, p14087 - 14100, p14087-14100
Kramer T., Chadwick F.M., Macgregor S.A., Weller A.S., Solid-State Confinement Effects in Selective exo-H/D Exchange in the Rhodium "-Norbornane Complex [(Cy2PCH2CH2PCy2)Rh("2:"2-C7H12)][BArF4], Helvetica Chimica Acta, 106, (2), 2023
Rae A., Byrne K.M., Brown S.A., Kennedy A.R., Kramer T., Mulvey R.E., Robertson S.D., Sigma/pi Bonding Preferences of Solvated Alkali-Metal Cations to Ditopic Arylmethyl Anions, Chemistry - A European Journal, 28, (18), 2022
Toh Z.H., Tinnermann H., Do D.C.H., Huynh H.V., Kramer T., Young R.D., Gauging the donor strength of iron(0) complexes via their N-heterocyclic carbene gold(i) adducts, Chemical Communications, 58, (93), 2022, p12947 - 12950, p12947-12950
A Whole Team Approach to Integration of Student Feedback into Continuous Assessment Activities for First-Year Students Transitioning to University Chemistry Education during the COVID-19 Pandemic in, editor(s)Iztok Devetak , University Chemistry Teaching in the 21. Century, 2022, [Frances Heaney, Denise Rooney, Orla Fenelon, Tobias Krämer, Eithne Dempsey, Stephen Barrett, Caytlin Boylan, Kyle Doherty, Luke Marchetti, Joseph Curran, Lisa O"Regan, Trinidad Velasco-Torrijos]
Webster L., Kramer T., Chadwick F.M., Synthesis and reactivity of titanium `POCOP" pincer complexes, Dalton Transactions, 47, 2022
Marchetti L.A., Kramer T., Elmes R.B.P., Amidosquaramides - a new anion binding motif with pH sensitive anion transport properties, Organic and Biomolecular Chemistry, 20, (35), 2022, p7056 - 7066, p7056-7066
Wang Q., Manzano R.A., Tinnermann H., Sung S., Leforestier B., Kramer T., Young R.D., Access to and Reactivity of Fe0, Fe"I, FeI, and FeII PCcarbeneP Pincer Complexes, Angewandte Chemie - International Edition, 60, (33), 2021, p18168 - 18177, p18168-18177
Bukvic A.J., Burnage A.L., Tizzard G.J., Martinez-Martinez A.J., Mckay A.I., Rees N.H., Tegner B.E., Kramer T., Fish H., Warren M.R., Coles S.J., Macgregor S.A., Weller A.S., A Series of Crystallographically Characterized Linear and Branched "-Alkane Complexes of Rhodium: From Propane to 3-Methylpentane, Journal of the American Chemical Society, 143, (13), 2021, p5106 - 5120, p5106-5120
Quek S.Y., Debnath S., Laxmi S., Van Gastel M., Kramer T., England J., Sterically Stabilized End-On Superoxocopper(II) Complexes and Mechanistic Insights into Their Reactivity with O-H, N-H, and C-H Substrates, Journal of the American Chemical Society, 143, (47), 2021, p19731 - 19747, p19731-19747
Falconer R.L., Byrne K.M., Nichol G.S., Kramer T., Cowley M.J., Reversible Dissociation of a Dialumene**, Angewandte Chemie - International Edition, 60, (46), 2021, p24702 - 24708, p24702-24708
Idelson C., Webster L., Kramer T., Chadwick F.M., Asymmetric bis-PNP pincer complexes of zirconium and hafnium-a measure of hemilability, Dalton Transactions, 49, (46), 2020, p16653 - 16656, p16653-16656
Storey C.M., Kalpokas A., Gyton M.R., Kramer T., Chaplin A.B., A shape changing tandem Rh(CNC) catalyst: Preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes, Chemical Science, 11, (8), 2020, p2051 - 2057, p2051-2057
Kynman A.E., Lau S., Dowd S.O., Kramer T., Chaplin A.B., Oxidative Addition of Biphenylene and Chlorobenzene to a Rh(CNC) Complex, European Journal of Inorganic Chemistry, 2020, (41), 2020, p3899 - 3906, p3899-3906
Brouillet E.V., Kennedy A.R., Kramer T., Mulvey R.E., Robertson S.D., Stewart A., Towie S., Synthesis, Structure, and DFT Analysis of the THF Solvate of 2-Picolyllithium: A 2-Picolyllithium Solvate with Significant Carbanionic Character, Zeitschrift fur Anorganische und Allgemeine Chemie, 646, (13), 2020, p726 - 733, p726-733
Martin H., Somers T., Dwyer M., Robson R., Pfeffer F.M., Bjornsson R., Kramer T., Kavanagh K., Velasco-Torrijos T., Scaffold diversity for enhanced activity of glycosylated inhibitors of fungal adhesion, RSC Medicinal Chemistry, 11, (12), 2020, p1386 - 1401, p1386-1401
Coughlin O., Kramer T., Benjamin S.L., Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations, Dalton Transactions, 49, (6), 2020, p1726 - 1730, p1726-1730
Algarra A.G., Burnage A.L., Iannuzzi M., Kramer T., Macgregor S.A., Pirie R.E.M., Tegner B., Weller A.S., Computational studies of the solid-state molecular organometallic (SMOM) chemistry of Rh "-alkane complexes, Structure and Bonding, 186, 2020, p183 - 228, p183-228
Doyle A.A., Kramer T., Kavanagh K., Stephens J.C., Cinnamaldehydes: Synthesis, antibacterial evaluation, and the effect of molecular structure on antibacterial activity, Results in Chemistry, 1, 2019
Sung S., Tinnermann H., Kramer T., Young R.D., Direct oxide transfer from an "2-keto ligand to generate a cobalt PCcarbeneP(O) pincer complex, Dalton Transactions, 48, (27), 2019, p9920 - 9924, p9920-9924
Tennant M., Chew S.C., Kramer T., Mai N., McAteer D., Pons J.-F., Practical Colorimetry of 3-Nitro-1,2,4-Triazol-5-One, Propellants, Explosives, Pyrotechnics, 44, (2), 2019, p198 - 202, p198-202
Kramer T., Tuna F., Pike S.D., Photo-redox reactivity of titanium-oxo clusters: Mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(iii)/Ti(iv) products, Chemical Science, 10, (28), 2019, p6886 - 6898, p6886-6898
Sung S., Wang Q., Kramer T., Young R.D., Synthesis and reactivity of a PCcarbeneP cobalt(i) complex: The missing link in the cobalt PXP pincer series (X = B, C, N), Chemical Science, 9, (43), 2018, p8234 - 8241, p8234-8241
McKay A.I., Martinez-Martinez A.J., Griffiths H.J., Rees N.H., Waters J.B., Weller A.S., Kramer T., MacGregor S.A., Controlling Structure and Reactivity in Cationic Solid-State Molecular Organometallic Systems Using Anion Templating, Organometallics, 37, (20), 2018, p3524 - 3532, p3524-3532
Marchetti L.A., Mao N., Kramer T., Kitchen J.A., Elmes R.B.P., A long wavelength colourimetric chemosensor for fluoride, Supramolecular Chemistry, 30, (9), 2018, p795 - 805, p795-805
Jolleys A., Lake B.R.M., Kramer T., Benjamin S.L., A Five-Membered PdSbn Coordination Series, Organometallics, 37, (21), 2018, p3854 - 3862, p3854-3862
Riley L.E., Kramer T., McMullin C.L., Ellis D., Rosair G.M., Sivaev I.B., Welch A.J., Large, weakly basic bis(carboranyl)phosphines: An experimental and computational study, Dalton Transactions, 46, (16), 2017, p5218 - 5228, p5218-5228
Sung S., Boon J.K., Lee J.J.C., Rajabi N.A., Macgregor S.A., Kramer T., Young R.D., Convergent (De)Hydrogenative Pathways via a Rhodium "-Hydroxylalkyl Complex, Organometallics, 36, (8), 2017, p1609 - 1617, p1609-1617
Chadwick F.M., McKay A.I., Martinez-Martinez A.J., Rees N.H., Kramer T., Macgregor S.A., Weller A.S., Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates, Chemical Science, 8, (9), 2017, p6014 - 6029, p6014-6029
Sung S., Joachim T., Kramer T., Young R.D., Protonolysis of an "-Hydroxyl Ligand for the Generation of a PCcarbeneP Pincer Complex and Subsequent Reactivity Studies, Organometallics, 36, (16), 2017, p3117 - 3124, p3117-3124
McKay A.I., Kramer T., Rees N.H., Thompson A.L., Christensen K.E., Macgregor S.A., Weller A.S., Formation of a "-alkane complex and a molecular rearrangement in the solid-State: [Rh(Cyp2PCH2CH2PCyp2)("2:"2-C7H12)][BArF 4], Organometallics, 36, (1), 2017, p22 - 25, p22-25
Chadwick F.M., Rees N.H., Weller A.S., Kramer T., Iannuzzi M., Macgregor S.A., A Rhodium-Pentane Sigma-Alkane Complex: Characterization in the Solid State by Experimental and Computational Techniques, Angewandte Chemie - International Edition, 55, (11), 2016, p3677 - 3681, p3677-3681
Chadwick F.M., Kramer T., Gutmann T., Rees N.H., Thompson A.L., Edwards A.J., Buntkowsky G., Macgregor S.A., Weller A.S., Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange, Journal of the American Chemical Society, 138, (40), 2016, p13369 - 13378, p13369-13378
Hugenbruch S., Shafaat H.S., Kramer T., Delgado-Jaime M.U., Weber K., Neese F., Lubitz W., Debeer S., In search of metal hydrides: An X-ray absorption and emission study of [NiFe] hydrogenase model complexes, Physical Chemistry Chemical Physics, 18, (16), 2016, p10688 - 10699, p10688-10699
Benjamin S.L., Kramer T., Levason W., Light M.E., Macgregor S.A., Reid G., A Pd(0) Tetrahedron with "3-Bridging Trimethylantimony Ligands, Journal of the American Chemical Society, 138, (22), 2016, p6964 - 6967, p6964-6967
Pike S.D., Kramer T., Rees N.H., Macgregor S.A., Weller A.S., Stoichiometric and catalytic solid-gas reactivity of rhodium bis-phosphine complexes, Organometallics, 34, (8), 2015, p1487 - 1497, p1487-1497
Pike S.D., Chadwick F.M., Rees N.H., Scott M.P., Weller A.S., Kramer T., Macgregor S.A., Solid-state synthesis and characterization of "-alkane complexes, [Rh(L2)("2,"2-C7H12)][BArF4] (L2 = bidentate chelating phosphine), Journal of the American Chemical Society, 137, (2), 2015, p820 - 833, p820-833
Ogata H., Kramer T., Wang H., Schilter D., Pelmenschikov V., Van Gastel M., Neese F., Rauchfuss T.B., Gee L.B., Scott A.D., Yoda Y., Tanaka Y., Lubitz W., Cramer S.P., Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy, Nature Communications, 6, 2015
Bachmeier A., Esselborn J., Hexter S.V., Kramer T., Klein K., Happe T., McGrady J.E., Myers W.K., Armstrong F.A., How formaldehyde inhibits hydrogen evolution by [FeFe]-hydrogenases: Determination by 13C ENDOR of direct Fe-C coordination and order of electron and proton transfers, Journal of the American Chemical Society, 137, (16), 2015, p5381 - 5389, p5381-5389
Klein E.L., Belaidi A.A., Raitsimring A.M., Davis A.C., Kramer T., Astashkin A.V., Neese F., Schwarz G., Enemark J.H., Pulsed electron paramagnetic resonance spectroscopy of 33S- labeled molybdenum cofactor in catalytically active bioengineered sulfite oxidase, Inorganic Chemistry, 53, (2), 2014, p961 - 971, p961-971
Zaher H., Ashley A.E., Irwin M., Thompson A.L., Zaher H., Kramer T., O'Hare D., Structural and theoretical studies of intermolecular dihydrogen bonding in [(C6F5)2(C6Cl5)B]"H"H"[TMP], Chemical Communications, 49, (84), 2013, p9755 - 9757, p9755-9757
Kramer T., Duckworth J.C.A., Ingram M.D., Zhou B., Mcgrady J.E., Goicoechea J.M., Structural trends in ten-vertex endohedral clusters, M@E10 and the synthesis of a new member of the family, [Fe@Sn10]3 - Dalton Transactions, 42, (34), 2013, p12120 - 12129, p12120-12129
Ghosh P., Samanta S., Roy S.K., Joy S., Kramer T., McGrady J.E., Goswami S., Redox noninnocence in coordinated 2-(arylazo)pyridines: Steric control of ligand-based redox processes in cobalt complexes, Inorganic Chemistry, 52, (24), 2013, p14040 - 14049, p14040-14049
Kramer T., Kampa M., Lubitz W., van Gastel M., Neese F., Theoretical spectroscopy of the niii intermediate states in the catalytic cycle and the activation of [NiFe] hydrogenases, ChemBioChem, 14, (14), 2013, p1898 - 1905, p1898-1905
Foster C.E., Kramer T., Wait A.F., Parkin A., Jennings D.P., Happe T., McGrady J.E., Armstrong F.A., Inhibition of [FeFe]-hydrogenases by formaldehyde and wider mechanistic implications for biohydrogen activation, Journal of the American Chemical Society, 134, (17), 2012, p7553 - 7557, p7553-7557
Weber K., Kramer T., Shafaat H.S., Weyhermuller T., Bill E., Van Gastel M., Neese F., Lubitz W., A functional [NiFe]-hydrogenase model compound that undergoes biologically relevant reversible thiolate protonation, Journal of the American Chemical Society, 134, (51), 2012, p20745 - 20755, p20745-20755
Irwin M., Doyle L.R., Kramer T., Herchel R., McGrady J.E., Goicoechea J.M., A homologous series of first-row transition-metal complexes of 2,2'-bipyridine and their ligand radical derivatives: Trends in structure, magnetism, and bonding, Inorganic Chemistry, 51, (22), 2012, p12301 - 12312, p12301-12312
Addy D.A., Phillips N., Pierce G.A., Vidovic D., Kramer T., Mallick D., Jemmis E.D., Reid G., Aldridge S., (Dimethylamino)borylene and related complexes of electron-rich metal fragments: Generation of nucleophile-resistant cations by spontaneous halide ejection, Organometallics, 31, (3), 2012, p1092 - 1102, p1092-1102
Vidovic D., Addy D.A., Kramer T., McGrady J., Aldridge S., Probing the intrinisic structure and dynamics of aminoborane coordination at late transition metal centers: Mono("-BH) binding in [CpRu(PR 3)2(H2BNCy2)]+, Journal of the American Chemical Society, 133, (22), 2011, p8494 - 8497, p8494-8497
Sparkes H.A., Kramer T., Brayshaw S.K., Green J.C., Weller A.S., Howard J.A.K., Experimental charge density study into C-C "-interactions in a Binor-S rhodium complex, Dalton Transactions, 40, (40), 2011, p10708 - 10718, p10708-10718
Zhou B., Kramer T., Thompson A.L., McGrady J.E., Goicoechea J.M., A highly distorted open-shell endohedral zintl cluster: [Mn@Pb 12]3 - Inorganic Chemistry, 50, (17), 2011, p8028 - 8037, p8028-8037
Joy S., Kramer T., Paul N.D., Banerjee P., McGrady J.E., Goswami S., Isolation and assessment of the molecular and electronic structures of azo-anion-radical complexes of chromium and molybdenum. experimental and theoretical characterization of complete electron-transfer series, Inorganic Chemistry, 50, (20), 2011, p9993 - 10004, p9993-10004
Kramer T., Lin Z., McGrady J.E., Exchange coupling through diamagnetic [Fe(CO)4]2- bridging ligands in a xenophilic cluster, Dalton Transactions, 40, (4), 2011, p927 - 932, p927-932
Irwin M., Kramer T., McGrady J.E., Goicoechea J.M., On the structural and electronic properties of [Zn2(4,4'- bipyridine)(mes)4]n- (n = 0-2), a homologous series of bimetallic complexes bridged by neutral, anionic, and dianionic 4,4'-bipyridine, Inorganic Chemistry, 50, (11), 2011, p5006 - 5014, p5006-5014
Ashley A.E., Herrington T.J., Wildgoose G.G., Zaher H., Thompson A.L., Rees N.H., Kramer T., Ohare D., Separating electrophilicity and lewis acidity: The synthesis, characterization, and electrochemistry of the electron deficient tris (aryl)boranes B(C6F5)3-n(C6Cl 5)n (n = 1-3), Journal of the American Chemical Society, 133, (37), 2011, p14727 - 14740, p14727-14740
Paul N.D., Kramer T., McGrady J.E., Goswami S., Dioxygen activation by mixed-valent dirhodium complexes of redox non-innocent azoaromatic ligands, Chemical Communications, 46, (38), 2010, p7124 - 7126, p7124-7126
Irwin M., Jenkins R.K., Denning M.S., Kramer T., Grandjean F., Long G.J., Herchel R., McGrady J.E., Goicoechea J.M., Experimental and computational study of the structural and electronic properties of FeII(2,2"-bipyridine)(mes)2 and [FeII(2,2"-bipyridine)(mes)2]?, a complex containing a 2,2"-bipyridyl radical anion, Inorganic Chemistry, 49, (13), 2010, p6160 - 6171, p6160-6171
Henschel H., Kramer T., Lankau T., (H2O)10 and (H2O)12 on a virtual metal surface: The growth of ice, Langmuir, 22, (26), 2006, p10942 - 10950, p10942-10950
Ludek O.R., Kramer T., Balzarini J., Meier C., Divergent synthesis and biological evaluation of carbocyclic " - iso- and 3"-epi-nucleosides and their lipophilic nucleotide prodrugs, Synthesis, (8), 2006, p1313 - 1324, p1313-1324
Butler I.R., Callabero A.G., Kelly G.A., Amey J.R., Kraemer T., Thomas D.A., Light M.E., Gelbrich T., Coles S.J., Ferrocenyl-substituted fluorescent anthracenes and anthraquinones, Tetrahedron Letters, 45, (3), 2004, p467 - 472, p467-472
Recognition
Representations
I am on the governing committee of the Irish Catalysis Society, which aims to promote catalysis research, education, and industrial applications across Ireland. Moreover, I am one of the members on the ICHEC Users Council, responsible for providing formal feedback on the National HPC Service to the ICHEC executive committee on behalf of the whole users community. As part of this role I input my views on operational matters, users support, scheduling policies, software provision. Recently I have contributed a case study to the ICHEC advisory report to the government, regarding the implementation of the new HPC infrastructure (CASPIr). Whilst at MU (as the Chair of a Athena Swan subcommittee) I was also involved in the All-Ireland Network for Gender Equality in Chemistry, which was recently featured in the June issue of Chemistry World. I would be interested to continue on this network, and have started to reach out to relevant people in the School.
I am currently a guest editor on the MDPI Inorganics special issue "Metal Catalyst Discovery, Design and Synthesis", handling manuscript submissions and the review process. Additionally, I have acted as the external examiner of a MSc thesis (University of Lincoln) and have agreed to be the external examiner for two PhD theses (one University of Oxford, one University of St Andrews) with dates of the viva voce planned later this year. Within the School, I have been the internal examiner on two transfer vivas as well as the PhD thesis.
I am a frequent reviewer for several international journals of learned societies, including (but not limited to) J. Am. Chem. Soc., J. Org. Chem., Angewandte Chemie, Nature, Nature Chemistry, Nature Communications Chemistry, J. Phys. Chem., Dalton Transactions and PCCP.
I have acted as the external examiner of a MSc thesis (University of Lincoln) and have agreed to be the external examiner for two PhD theses (one University of Oxford, one University of St Andrews) with dates of the viva voce planned later this year. Within the School, I have been the internal examiner on two transfer vivas as well as the PhD thesis of Ms. Manting Mu.
I am also a reviewer for ERC and EPSRC grants.
Awards and Honours
Award for Excellent achievement in Diplom examination
Maynooth University Teaching Award (Team)
Memberships
Royal Society of Chemistry
American Chemical Society