Recent CEBC Publications
Recent publications are listed below; you may also download a full list here.
2025 Publications (as of March 2025)
- Fields IV, C. C.; Jain, P.; Subramaniam, B.; Allgeier, A. M.; Vlachos, D. G.; Lobo, R. F., Intensification of Renewable 4,4′-Dimethylbiphenyl Synthesis for Recyclable Diesters. ACS Sustainable Chem. Eng. 2025, Article ASAP. doi:10.1021/acssuschemeng.4c09233.
- Siakpebru, O. K.; Gurrala, L.; Uchagawkar, A.; Norris, O.; Bartlett, J.; Morias, A. C., Application of Hierarchical H–Y Zeolites in Hydroxyalkylation–Alkylation of 2-Methylfuran with Furfural to Produce Jet Fuel Precursors. Ind. Eng. Chem. Res.2025. DOI:10.1021/acs.iecr.4c03317
2024 Publications
- Bartlett, E. R.; Borkowski, A. K.; Nilles, C. K.; Blakemore, J. D.; Thompson, W. H., Entropy drives accelerated ion diffusion upon carbon dioxide expansion of electrolytes. J. Phys. Chem. B 2024,128 (19), 4783-4791. doi:10.1021/acs.jpcb.4c00540
- Brunclik, S. A.; Grotemeyer, E. N.; Aghaei, Z.; Mian, M. R.; Jackson, T. A., Investigating Ligand Sphere Perturbations on MnIII–Alkylperoxo Complexes. Molecules 2024, 29, 1849. doi:10.3390/molecules29081849.
- Castilla-Acevedo, S. F.; Szobody, T. P.; Boydston, C. M.; John, J. S.; Amaya-Roncancio, S.; Allgeier, A. M., Efficient hydrodeoxygenation of tetrahydrofuran 2,5-dicarboxylic acid to adipic acid over Pt-MOx catalysts: An experimental and computational study. Catal. Today 2024,436, 114722. doi:10.1016/j.cattod.2024.114722
- Golwankar, R. R.; Ervin, A. C.; Makos, M. Z.; Mikeska, E. R.; Glezakou, V.-A.; Blakemore, J. D., Synthesis, Isolation, and Study of Heterobimetallic Uranyl Crown Ether Complexes. J. Am. Chem. Soc. 2024,146 (14), 9597-9604. doi:10.1021/jacs.3c12075
- Kamkar, M.; Leonard, K. C.; Ferrer, I.; Loo, S. C. J.; Biddinger, E. J.; Brady, D.; Carrier, D. J.; Gathergood, N.; Han, H.; Hermans, I.; Hii, K. K. M.; Hwang, B. J.; Loh, W.; Meier, M. A. R.; Marr, A. C.; Newton, G. N.; Srubar, W. V., III; Yan, N.; Tam, M. K. C.; Chen, J.; Moores, A. H.; Subramaniam, B.; Licence, P.; Serrano, J. F., Artificial Intelligence (AI) for Sustainable Resource Management and Chemical Processes. ACS Sustainable Chem. Eng. 2024,12 (8), 2924-2926. doi:10.1021/acssuschemeng.4c01004
- Karnes, J. P.; Kumar, A.; Leseberg, J. A. H.; Day, V. W.; Blakemore, J. D., Trivalent cations slow electron transfer to macrocyclic heterobimetallic complexes. ChemRxiv 2024, 1-76. doi:10.26434/chemrxiv-2024-nhj5w
- Melfi, D. T.; Scurto, A. M., Viscosity of imidazolium ionic liquids and mixtures of ILs from entropy scaling using the PC-SAFT and ePC-SAFT equations of state. J. Mol. Liq. 2024,401, 124500. doi:10.1016/j.molliq.2024.124500
- Mikeska, E. R.; Lind, N. M.; Ervin, A. C.; Khalife, C.; Karnes, J. P.; Blakemore, J. D., Observations regarding the synthesis and redox chemistry of heterobimetallic uranyl complexes containing Group 10 metals. Radiochim. Acta 2024,112 (3), 149-160. doi:10.1515/ract-2023-0237
- Mikeska, E. R.; Wilson, R. E.; Sen, A.; Autschbach, J.; Blakemore, J. D., Preparation of neptunyl and plutonyl acetates to access non-aqueous transuranium coordination chemistry. ChemRxiv 2024, 1-37. doi:10.26434/chemrxiv-2024-kqthl
- Neupane, P.; Bartels, D. M.; Thompson, W. H., Exploring the Unusual Reactivity of the Hydrated Electron with CO2. J. Phys. Chem. B 2024,128 (2), 567-575. doi:10.1021/acs.jpcb.3c06935
- Nilles, C. K.; Borkowski, A. K.; Bartlett, E. R.; Stalcup, M. A.; Lee, H.-J.; Leonard, K. C.; Subramaniam, B.; Thompson, W. H.; Blakemore, J. D., Mechanistic Basis of Conductivity in Carbon Dioxide-Expanded Electrolytes: A Joint Experimental-Theoretical Study. J. Am. Chem. Soc. 2024,146 (4), 2398-2410. doi:10.1021/jacs.3c08145
- Osei, D.; Gurrala, L.; Sheldon, A.; Mayuga, J.; Lincoln, C.; Rorrer, N. A.; Morais, A. R. C., Subcritical CO2-H2O hydrolysis of polyethylene terephthalate as a sustainable chemical recycling platform. Green Chem. 2024,26 (11), 6436-6445. doi:10.1039/d3gc04576e
- Piskulich, Z. A.; Laage, D.; Thompson, W. H., A structure-dynamics relationship enables prediction of the water hydrogen bond exchange activation energy from experimental data. Chem. Sci. 2024,15 (6), 2197-2204. doi:10.1039/d3sc04495e
- Rosser, D. A.; Farris, B. R.; Leonard, K. C., Predictive machine learning models trained on experimental datasets for electrochemical nitrogen reduction. Digital Discovery 2024,3 (4), 667-673. doi:10.1039/d3dd00151b
- Sharma, V. K.; Binder, T. P.; Allgeier, A. M., Conceptual Process Design and Techno-Economic Analysis of Biocatalytic Furfural Hydrogenation Using Ethanol as the Terminal Reductant. ACS Sustainable Chem. Eng. 2024,12 (29), 10776-10785. doi:10.1021/acssuschemeng.4c01718
- Siakpebru, O. K.; Uchagawkar, A.; Gurrala, L.; Bartlett, J.; Adamson, P.; Gorschak, N.; Hassiba, A.; Niphadkar, P.; Bokade, V.; Morais, A. R. C., One-Pot Production of Liquid Hydrocarbons by Catalytic Hydrodeoxygenation of Lignocellulosic Biomass Using Nickel Loaded on Zeolite-Based Supports. Energy Fuels 2024,38 (14), 13029-13038. doi:10.1021/acs.energyfuels.4c00659
- Singh, S.; Binder, T.; Hagberg, E.; Subramaniam, B., High-Performance Resin Formulations with Ozone-Pretreated Corn Cob Lignin and Lysine. ACS Sustainable Chem. Eng. 2024, 12 (38), 14305-14318. doi:10.1021/acssuschemeng.4c05369.
- Singh, P.; Massie, A. A.; Denler, M. C.; Lee, Y.; Mayfield, J. R.; Lomax, M. J. A.; Singh, R.; Nordlander, E.; Jackson, T. A., C-H Bond Oxidation by MnIV-Oxo Complexes: Hydrogen-Atom Tunneling and Multistate Reactivity. Inorg. Chem. 2024,63 (17), 7754-7769. doi:10.1021/acs.inorgchem.4c00186
- Suekuni, M. T.; Ezazi, M.; Kwon, G.; Craddock, P. R.; Allgeier, A. M., Assessment of Kerogen Wettability from Contact Angle Goniometry. Energy Fuels 2024,38 (3), 1864-1872. doi:10.1021/acs.energyfuels.3c03175
- Torres-Velasco, A.; Patil, B. S.; Zhu, H.; Qi, Y.; Podkolzin, S. G.; Bravo-Suarez, J. J., A general method for studying reactive surface species, CT-SKAn: Charge-transfer spectrokinetic analysis. J. Catal. 2024,434, 115508. doi:10.1016/j.jcat.2024.115508
- Uchagawkar, A.; Ramanathan, A.; Zhu, H.; Chen, L.; Hu, Y.; Douglas, J.; Mais, M.; Kobayashi, T.; Subramaniam, B., Insights into Dopant-Mediated Tuning of Silica-Supported Mo Metal Centers for Enhanced Olefin Metathesis. ACS Catal. 2024,14 (11), 8317-8329. doi:10.1021/acscatal.4c01700
Yu, M.-M.; Zhang, Z.; Guan, G.-L.; Patil, B.; Srinivasan, P. D.; Wang, G.; Feng, W.-H.; Miao, Y.-T.; Wang, L.-J.; Zhu, H.; Shakouri, M.; Huang, R.; Ding, D.; Sun, W.; Bravo-Suarez, J. J.; Hu, Y.; Yu, S.-M.; Cui, Y.; Wang, Q.; Yang, J.-H.; Wu, J.-F.; Chou, L., Insights into a Nitrogen-Doped Cobalt Oxide Catalyst for Enhanced Hydrogenation of CO2 to C2+ Hydrocarbons. ACS Sustainable Chem. Eng. 2024,12 (14), 5496-5508. doi:10.1021/acssuschemeng.3c07908
2023 Publications
- Alzahrani, H. A.; Bravo-Suarez, J. J., In situ Raman spectroscopy study of silver particle size effects on unpromoted Ag/α-Al2O3 during ethylene epoxidation with molecular oxygen. J. Catal. 2023, 418, 225-236. doi:10.1016/j.jcat.2023.01.016
- Balduf, T.; Blakemore, J. D.; Caricato, M., Computational Insights into the Influence of Ligands on Hydrogen Generation with [Cp*Rh] Hydrides. J. Phys. Chem. A 2023, 127 (29), 6020-6031. doi:10.1021/acs.jpca.3c02550
- Balduf, T.; Blakemore, J. D.; Caricato, M., Computational insights into ligand influences on hydrogen generation with [Cp*Rh] hydrides. ChemRxiv 2023, 1-19.
- Balduf, T.; Caricato, M., Origin invariant molecular orbital decomposition of optical rotation. Theor. Chem. Acc. 2023, 142 (1), 11. doi:10.1007/s00214-022-02944-z
- Bellabarba, R.; Johnston, P.; Moss, S.; Sievers, C.; Subramaniam, B.; Tway, C.; Wang, Z.; Zhu, H., Net Zero Transition: Possible Implications for Catalysis. ACS Catal. 2023, 13 (12), 7917-7928. doi:10.1021/acscatal.3c01255
- Borkowski, A. K.; Campbell, N. I.; Thompson, W. H., Direct calculation of the temperature dependence of 2D-IR spectra: Urea in water. J. Chem. Phys. 2023, 158 (6), 064507. doi:10.1063/5.0135627
- Brunclik, S. A.; Opalade, A. A.; Jackson, T. A., Electronic structure contributions to O-O bond cleavage reactions for MnIII-alkylperoxo complexes. Dalton Trans. 2023, 52 (39), 13878-13894. doi:10.1039/d3dt01672b
- Burkey, K.; Castillo, K.; Elrod, P.; Suekuni, M. T.; Aikman, E.; Gehrke, S.; Allgeier, A.; Robinson, J. L., Modulating pentenoate-functionalized hyaluronic acid hydrogel network properties for meniscal fibrochondrocyte mechanotransduction. J. Biomed. Mater. Res., Part A 2023, 111 (10), 1525-1537. doi:10.1002/jbm.a.37551
- Dopp, C. M.; Golwankar, R. R.; Kelsey, S. R.; Douglas, J. T.; Erickson, A. N.; Oliver, A. G.; Day, C. S.; Day, V. W.; Blakemore, J. D., Vanadyl as a Spectroscopic Probe of Tunable Ligand Donor Strength in Bimetallic Complexes. Inorg. Chem. 2023, 62 (25), 9827-9843. doi:10.1021/acs.inorgchem.3c00724
- Ghanta, M.; Acharyya, S. S.; Chaudhari, R. V.; Subramaniam, B. In Catalytic Aromatic Oxidations, Wiley-VCH Verlag GmbH & Co. KGaA: 2023; p 1067.
- Ghanta, M.; Zuo, X.; Chaudhari, R. V.; Subramaniam, B. In Spray Reactor for Terephthalic Acid Production (Case Study), Wiley-VCH Verlag GmbH & Co. KGaA: 2023; p 1137.
- Golwankar, R. R.; Curry, T. D.; Paranjothi, C. J.; Blakemore, J. D., Molecular Influences on the Quantification of Lewis Acidity with Phosphine Oxide Probes. Inorg. Chem. 2023, 62 (25), 9765-9780. doi:10.1021/acs.inorgchem.3c00084
- Golwankar, R. R.; Ervin, A. C.; Makos, M. Z.; Mikeska, E. R.; Glezakou, V.-A.; Blakemore, J. D., Synthesis, isolation, and study of a heterobimetallic uranyl crown-ether complex. ChemRxiv 2023, 1-17. doi:10.26434/chemrxiv-2023-qb7cc
- Golwankar, R. R.; Makos, M. Z.; Cajiao, N.; Neidig, M. L.; Oliver, A. G.; Day, C. S.; Day, V. W.; Glezakou, V.-A.; Blakemore, J. D., Electrochemical Activation and Functionalization of the Uranyl Ion. ChemRxiv 2023, 1-15. doi:10.26434/chemrxiv-2023-gnbpd
- Green, S.; Binder, T.; Hagberg, E.; Subramaniam, B., Correlation between Lignin-Carbohydrate Complex Content in Grass Lignins and Phenolic Aldehyde Production by Rapid Spray Ozonolysis. ACS Eng. Au 2023, 3 (2), 84-90. doi:10.1021/acsengineeringau.2c00041
- Grotemeyer, E. N.; Parham, J. D.; Jackson, T. A., Reaction landscape of a mononuclear MnIII-hydroxo complex with hydrogen peroxide. Dalton Trans. 2023, 52 (40), 14350-14370. doi:10.1039/d3dt02672h
- Henke, W. C.; Peng, Y.; Meier, A. A.; Fujita, E.; Grills, D. C.; Polyansky, D. E.; Blakemore, J. D., Mechanistic roles of metal- and ligand-protonated species in hydrogen evolution with [Cp*Rh] complexes. Proc. Natl. Acad. Sci. U. S. A. 2023, 120 (21), e2217189120. doi:10.1073/pnas.2217189120
- Ilgen, A. G.; Senanayake, H. S.; Thompson, W. H.; Greathouse, J. A., Structure and energetics of hydrogen bonding networks in dilute HOD/H2O solutions confined in silica nanopores. Environ. Sci.: Nano 2023, 10 (11), 3025-3038. doi:10.1039/d3en00291h
- Janda, D. C.; Barma, K.; Parandhaman, M.; Sun, X.; Leonard, K. C.; Amemiya, S., Adsorption-coupled electron-transfer mode of scanning electrochemical microscopy: Voltammetric simulation. Electrochim. Acta 2023, 444, 141973. doi:10.1016/j.electacta.2023.141973
- Lam, E.; Moores, A.; Subramaniam, B.; Voutchkova-Kostal, A., Defining and Advancing Sustainable Chemistry: A Discussion around the Recent National Science and Technology Council Report. ACS Sustainable Chem. Eng. 2023, 11 (51), 17881-17884. doi:10.1021/acssuschemeng.3c07860
- Licence, P.; Tam, M. K. C.; Moores, A.; Subramaniam, B.; Allen, D. T.; Serrano, J. F., Evolution Amid Transition. ACS Sustainable Chem. Eng. 2023, 11 (24), 8699-8700. doi:10.1021/acssuschemeng.3c03261
- Maiti, S. K.; Snavely, K.; Ramanathan, A.; Dakka, J.; Nandi, P.; Spry, D. B.; Subramaniam, B., Direct Tertiary Butyl Alcohol Formation via Catalytic Liquid Phase Isobutane Oxidation with Molecular Oxygen. Ind. Eng. Chem. Res. 2023, 62 (45), 19238-19249. doi:10.1021/acs.iecr.3c00824
- Mikeska, E. R.; Blakemore, J. D., Evidence for Reactivity of Decamethylcobaltocene with Dichloromethane. Organometallics 2023, 42 (13), 1444-1447. doi:10.1021/acs.organomet.3c00176
- Mikeska, E. R.; Ervin, A. C.; Zhang, K.; Benitez, G. M.; Powell, S. M. R.; Oliver, A. G.; Day, V. W.; Caricato, M.; Comadoll, C. G.; Blakemore, J. D., Evidence for Uranium(VI/V) Redox Supported by 2,2'-Bipyridyl-6,6'-dicarboxylate. Inorg. Chem. 2023, 62 (39), 16131-16148. doi:10.1021/acs.inorgchem.3c02397
- Mikeska, E. R.; Lind, N. M.; Ervin, A. C.; Khalife, C.; Karnes, J. P.; Blakemore, J. D., Observations regarding the synthesis and redox chemistry of heterobimetallic uranyl complexes containing group 10 metals. ChemRxiv 2023, 1-32. doi:10.26434/chemrxiv-2023-gcgpz
- Neupane, P.; Bartels, D. M.; Thompson, W. H., Empirically Optimized One-Electron Pseudopotential for the Hydrated Electron: A Proof-of-Concept Study. J. Phys. Chem. B 2023, 127 (33), 7361-7371. doi:10.1021/acs.jpcb.3c03540
- Neupane, P.; Bartels, D. M.; Thompson, W. H., Relation between the Hydrated Electron Solvation Structure and Its Partial Molar Volume. J. Phys. Chem. B 2023, 127 (26), 5941-5947. doi:10.1021/acs.jpcb.3c03158
- Nguyen, N. P.; Laird, B. B., Generation of Amorphous Silica Surfaces with Controlled Roughness. J. Phys. Chem. A 2023, 127 (46), 9831-9841. doi:10.1021/acs.jpca.3c04955
- Parsons, T.; Balduf, T.; Caricato, M., On the choice of coordinate origin in length gauge optical rotation calculations. ChemRxiv 2023, 1-8.
- Piskulich, Z. A.; Borkowski, A. K.; Thompson, W. H., A Maxwell relation for dynamical timescales with application to the pressure and temperature dependence of water self-diffusion and shear viscosity. Phys. Chem. Chem. Phys. 2023, 25 (18), 12820-12832. doi:10.1039/d3cp01386c
- Rajapakse, D.; Meckstroth, J.; Jantz, D. T.; Camarda, K. V.; Yao, Z.; Leonard, K. C., Deconvoluting Kinetic Rate Constants of Catalytic Substrates from Scanning Electrochemical Approach Curves with Artificial Neural Networks. ACS Meas. Sci. Au 2023, 3 (2), 103-112. doi:10.1021/acsmeasuresciau.2c00056
- Ren, Z. J.; Lowry, G. V.; Arnold, W. A.; Brooks, B. W.; Gago-Ferrero, P.; Garcia, J. M.; Leonard, K. C.; Mills, M.; Serrano, J. F.; Wang, S.; Zimmerman, J. B., Data Science for the Transformation of Environmental and Chemical Research and Development. Environ. Sci. Technol. 2023, 57 (46), 17663-17664. doi:10.1021/acs.est.2c07679
- Rosser, D.; Farris, B. R.; Leonard, K. C., Predictive machine learning models trained on experimental datasets for electrochemical nitrogen reduction. ChemRxiv 2023, 1-10. doi:10.26434/chemrxiv-2023-x81t3
- Senanayake, H. S.; Wimalasiri, P. N.; Godahewa, S. M.; Thompson, W. H.; Greathouse, J. A., Ab Initio-Derived Force Field for Amorphous Silica Interfaces for Use in Molecular Dynamics Simulations. J. Phys. Chem. C 2023, 127 (33), 16567-16578. doi:10.1021/acs.jpcc.3c02270
- Sharma, V. K.; Cosse, K. J.; Binder, T. P.; McFarlane, J. S.; Allgeier, A. M., Biocatalytic Furfuryl Alcohol Production with Ethanol as the Terminal Reductant Using a Single Enzyme. ACS Sustainable Chem. Eng. 2023, 11 (29), 10767-10775. doi:10.1021/acssuschemeng.3c01588
- Singh, P.; Lee, Y.; Mayfield, J. R.; Singh, R.; Denler, M. C.; Jones, S. D.; Day, V. W.; Nordlander, E.; Jackson, T. A., Enhanced Understanding of Structure-Function Relationships for Oxomanganese(IV) Complexes. Inorg. Chem. 2023, 62 (45), 18357-18374. doi:10.1021/acs.inorgchem.3c00600
- Stalcup, M. A.; Nilles, C. K.; Subramaniam, B.; Blakemore, J. D.; Leonard, K. C., Distinguishing the mechanism of electrochemical carboxylation in CO2 eXpanded Electrolytes. Chem. Commun. (Cambridge, U. K.) 2023, 59 (38), 5713-5716. doi:10.1039/d2cc06560f
- Stiel, J. P.; Henke, W. C.; Moore, W. N. G.; Blakemore, J. D., Redox properties of [Cp*Rh] complexes supported by mono-substituted 2,2′-bipyridyl ligands. ChemRxiv 2023, 1-17. doi:10.26434/chemrxiv-2023-njjmp
- Suekuni, M. T.; Allgeier, A. M., Correlating Surface Chemistry to Surface Relaxivity via TD-NMR Studies of Polymer Particle Suspensions. JACS Au 2023, 3 (10), 2826-2834. doi:10.1021/jacsau.3c00384
- Sumaria, V.; Nguyen, L.; Tao, F. F.; Sautet, P., Atomic-Scale Mechanism of Platinum Catalyst Restructuring under a Pressure of Reactant Gas. J. Am. Chem. Soc. 2023, 145 (1), 392-401. doi:10.1021/jacs.2c10179
- Tam, M. K. C.; Ferrer Marti, I.; Loo, S. C. J.; Kamkar, M.; Subramaniam, B.; Moores, A.; Licence, P.; Serrano, J. F., Combating Threats to Water, Air and Soil, Our Precious Natural Resources. ACS Sustainable Chem. Eng. 2023, 11 (43), 15503-15505. doi:10.1021/acssuschemeng.3c06395
- Velasquez Morales, S.; Allgeier, A. M., Kinetics and Pathway Analysis Reveals the Mechanism of a Homogeneous PNP-Iron-Catalyzed Nitrile Hydrogenation. Inorg. Chem. 2023, 62 (1), 114-122. doi:10.1021/acs.inorgchem.2c03029
- Wang, J.; Barforoush, J. M.; Leonard, K. C., Sulfur incorporation into NiFe oxygen evolution electrocatalysts for improved high current density operation. Mater. Adv. 2023, 4 (1), 122-133. doi:10.1039/d2ma00902a
- Zhang, K.; Caricato, M., Modeling Catalyzed Reactions on Metal-Doped Amorphous Silicates: The Case of Niobium-Catalyzed Ethylene Epoxidation. J. Phys. Chem. C 2023, 127 (10), 4984-4997. doi:10.1021/acs.jpcc.3c00213
- Zhu, H.; Jackson, T. A.; Subramaniam, B., Facile Ozonation of Light Alkanes to Oxygenates with High Atom Economy in Tunable Condensed Phase at Ambient Temperature. JACS Au 2023, 3 (2), 498-507. doi:10.1021/jacsau.2c00631
2022 Publications
1. Acuna-Bedoya, J. D.; Alvarez-Pugliese, C. E.; Castilla-Acevedo, S. F.; Bravo-Suarez, J. J.; Marriaga-Cabrales, N., Degradation of diclofenac aqueous solutions in a 3D electrolytic reactor using carbon-based materials as pseudo third electrodes in fluidized bed, anodic and cathodic configurations. J. Environ. Chem. Eng. 2022,10 (4), 108075. doi:10.1016/j.jece.2022.108075
2. Allen, D. T.; Licence, P.; Subramaniam, B.; Anastas, P. T.; Carrier, D. J.; Chen, J.; Gathergood, N.; Garcia, J. M.; Gong, J.; Han, H.; Kuok Hii, K.; Hwang, B.-J.; Marr, A.; Meier, M.; Moores, A.; Nakamura, R.; Pradeep, T.; Rossi, L.; Sels, B.; Tam, M. K. C.; Zhuang, L.; Serrano, J. F., Building Pathways to a Sustainable Planet. ACS Sustainable Chem. Eng. 2022,10 (1), 1-2. doi:10.1021/acssuschemeng.1c08512
3. Bai, J.; Song, Z.; Liu, L.; Zhu, X.; Gao, F.; Chaudhari, R. V., Enhanced transformation of CO2 over microporous Ce-doped Zr metal-organic frameworks. RSC Adv. 2022,12 (40), 26307-26318. doi:10.1039/d2ra02680e
4. Borkowski, A. K.; Thompson, W. H., Shining (Infrared) Light on the Hofmeister Series: Driving Forces for Changes in the Water Vibrational Spectra in Alkali-Halide Salt Solutions. J. Phys. Chem. B 2022,126 (35), 6700-6712. doi:10.1021/acs.jpcb.2c03957
5. Boyd, E. A.; Hopkins Leseberg, J. A.; Cosner, E. L.; Lionetti, D.; Henke, W. C.; Day, V. W.; Blakemore, J. D., Remote Oxidative Activation of a [Cp*Rh] Monohydride. Chem. - Eur. J. 2022,28 (13), e202104389. doi:10.1002/chem.202104389
6. Dopp, C. M.; Golwankar, R. R.; Kelsey, S. R.; Erickson, A. N.; Douglas, J. T.; Blakemore, J. D., Vanadyl as a spectroscopic probe of tunable ligand donor strength in bimetallic complexes. ChemRxiv 2022, 1-30.
7. Farris, B. R.; Niang-Trost, T.; Branicky, M. S.; Leonard, K. C., Evaluation of Machine Learning Models on Electrochemical CO2 Reduction Using Human Curated Datasets. ACS Sustainable Chem. Eng. 2022,10 (33), 10933-10943. doi:10.1021/acssuschemeng.2c02941
8. Golwankar, R. R.; Kumar, A.; Day, V. W.; Blakemore, J. D., Revealing the Influence of Diverse Secondary Metal Cations on Redox-Active Palladium Complexes. Chem. - Eur. J. 2022,28 (38), e202200344. doi:10.1002/chem.202200344
9. Gomez, A.; Piskulich, Z. A.; Thompson, W. H.; Laage, D., Water Diffusion Proceeds via a Hydrogen-Bond Jump Exchange Mechanism. J. Phys. Chem. Lett. 2022,13 (21), 4660-4666. doi:10.1021/acs.jpclett.2c00825
10. Henke, W. C.; Peng, Y.; Meier, A. A.; Fujita, E.; Grills, D. C.; Polyansky, D. E.; Blakemore, J. D., Mechanistic roles of metal- and ligand-protonated species in hydrogen evolution with [Cp*Rh] complexes. ChemRxiv 2022, 1-16.
11. Henke, W. C.; Stiel, J. P.; Day, V. W.; Blakemore, J. D., Evidence for Charge Delocalization in Diazafluorene Ligands Supporting Low-Valent [Cp*Rh] Complexes. Chem. - Eur. J. 2022,28 (9), e202103970. doi:10.1002/chem.202103970
12. Hopkins Leseberg, J. A.; Henke, W. C.; Douglas, J. T.; Oliver, A. G.; Sydora, O. L.; Blakemore, J. D., Spectroscopic Interrogation of the Reduction of Model Chromium Precatalysts for Olefin Oligomerization. Organometallics 2022,41 (16), 2240-2251. doi:10.1021/acs.organomet.2c00168
13. Khan, S. A.; Godahewa, S. M.; Wimalasiri, P. N.; Thompson, W. H.; Scott, S. L.; Peters, B., Modeling the Structural Heterogeneity of Vicinal Silanols and Its Effects on TiCl4 Grafting onto Amorphous Silica. Chem. Mater. 2022,34 (9), 3920-3930. doi:10.1021/acs.chemmater.1c04016
14. Kurapati, N.; Janda, D. C.; Balla, R. J.; Huang, S.-H.; Leonard, K. C.; Amemiya, S., Nanogap-Resolved Adsorption-Coupled Electron Transfer by Scanning Electrochemical Microscopy: Implications for Electrocatalysis. Anal. Chem. (Washington, DC, U. S.) 2022,94 (51), 17956-17963. doi:10.1021/acs.analchem.2c04008
15. Kwon, Y. M.; Lee, Y.; Schmautz, A. K.; Jackson, T. A.; Wang, D., C-H Bond Activation by a Mononuclear Nickel(IV)-Nitrate Complex. J. Am. Chem. Soc. 2022,144 (27), 12072-12080. doi:10.1021/jacs.2c02454
16. Martin, S. C.; Hansen-Goos, H.; Roth, R.; Laird, B. B., Inside and out: Surface thermodynamics from positive to negative curvature. J. Chem. Phys. 2022,157 (5), 054702. doi:10.1063/5.0099295
17. Massie, A. A.; Kostopoulos, N.; Grotemeyer, E. N.; Noel, J.-M.; Jackson, T. A.; Anxolabehere-Mallart, E., Electrochemical Formation and Reactivity of a Mn-Peroxo Complex Bearing an Amido N5 Ligand. ChemElectroChem 2022,9 (11), e202200112. doi:10.1002/celc.202200112
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