Recent CEBC Publications

2022

  1. 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. 10.1002/chem.202104389
  2. Golwankar, R. R.; Kumar, A.; Day, V. W.; Blakemore, J. D., Revealing the influence of secondary metals on redox-active palladium complexes. ChemRxiv2022, 1-21.
  3. 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. 10.1002/chem.202103970
  4. Shi, H.; Lundin, M.; Danby, A.; Go, E. P.; Patil, A.; Zhou, H.; Jackson, T. A.; Subramaniam, B., Selective ozone activation of phenanthrene in liquid CO2. RSC Adv. 2022, 12 (1), 626-630. 10.1039/d1ra06642k
  5. Xiao, Y.; Ramanathan, A.; Subramaniam, B.; Varma, A. Guaiacol Hydrodeoxygenation and Hydrogenation over Bimetallic Pt-M (Nb, W, Zr)/KIT-6 Catalysts with Tunable Acidity ACS Sustainable Chem. Eng. 2022 ASAP. 10.1021/acssuschemeng.1c07071
  6. Yan, G.; Tang, Y.; Li, Y.; Li, Y.; Nguyen, L.; Sakata, T.; Higashi, K.; Tao, F. F.; Sautet, P., Reaction product-driven restructuring and assisted stabilization of a highly dispersed Rh-on-ceria catalyst. Nat. Catal. 2022, 5 (2), 119-127. 10.1038/s41929-022-00741-2

2021

  1. Anand, A.; Hattemer, J. M.; Jaeschke, A. H.; Allgeier, A. M.; Albers, C. J.; Weatherley, L. R., The influence of oriented external electric field on lipase catalyzed triglyceride hydrolysis. Chem. Eng. Process. 2021, 165, 108452. 10.1016/j.cep.2021.108452
  2. Anastas, P. T.; Nolasco, M.; Kerton, F.; Kirchhoff, M.; Licence, P.; Pradeep, T.; Subramaniam, B.; Moores, A. The Power of the United Nations Sustainable Development Goals in Sustainable Chemistry and Engineering Research, ACS Sustainable Chem. Eng. 2021 9 (24), 8015-8017. 10.1021/acssuschemeng.1c03762
  3. Banerjee, A.; Li, J.; Molenda, M. A.; Opalade, A. A.; Adhikary, A.; Brennessel, W. W.; Malkhasian, A. Y. S.; Jackson, T. A.; Chavez, F. A., Probing the Mechanism for 2,4'-Dihydroxyacetophenone Dioxygenase Using Biomimetic Iron Complexes. Inorg. Chem. 2021, 60 (10), 7168-7179. 10.1021/acs.inorgchem.1c00167
  4. Bhagavanbhai, G. G.; Bravo-Suarez, J. J.; Kumar, R., Fishing with scissors: a mnemonic for thermodynamic formula. Orient. J. Chem. 2021, 37 (3), 700-703. 10.13005/ojc/370326
  5. Bobba, P.; Zhu, H.; Snavely, W. K.; Liu, D.; Subramaniam, B.; Chaudhari, R. V., Solubility of Carbon Dioxide in Carboxylation Reaction Mixtures. Ind. Eng. Chem. Res. 2021, 60 (23), 8375-8385. 10.1021/acs.iecr.1c00430
  6. Borkowski, A. K.; Piskulich, Z. A.; Thompson, W. H., Examining the Hofmeister Series through Activation Energies: Water Diffusion in Aqueous Alkali-Halide Solutions. J. Phys. Chem. B 2021, 125 (1), 350-359. 10.1021/acs.jpcb.0c09965
  7. Boyd, E. A.; Leseberg, J. A. H.; Cosner, E. L.; Lionetti, D.; Henke, W. C.; Day, V. W.; Blakemore, J. D., Remote oxidative activation of a [Cp*Rh] monohydride. ChemRxiv 2021, 1-19. 
  8. Caricato, M., Cluster Model Simulations of Metal-Doped Amorphous Silicates for Heterogeneous Catalysis. J. Phys. Chem. C 2021, 125 (50), 27509-27519. 10.1021/acs.jpcc.1c07524
  9. Comadoll, C. G.; Henke, W. C.; Leseberg, J. A. H.; Douglas, J. T.; Oliver, A. G.; Day, V. W.; Blakemore, J. D., Examining the modular synthesis of [Cp*Rh] monohydrides supported by chelating diphosphine ligands. ChemRxiv 2021, 1-12.
  10. Comadoll, C. G.; Henke, W. C.; Hopkins Leseberg, J. A.; Douglas, J. T.; Oliver, A. G.; Day, V. W.; Blakemore, J. D., Examining the Modular Synthesis of [Cp*Rh] Monohydrides Supported by Chelating Diphosphine Ligands. Organometallics 2021, 40 (22), 3808-3818. 10.1021/acs.organomet.1c00525
  11. Hasan, M. M. F.; Rossi, L. M.; Debecker, D. P.; Leonard, K. C.; Li, Z.; Makhubela, B. C. E.; Zhao, C.; Kleij, A., Can CO2 and Renewable Carbon Be Primary Resources for Sustainable Fuels and Chemicals? ACS Sustainable Chem. Eng. 2021, 9 (37), 12427-12430. 10.1021/acssuschemeng.1c06008
  12. Henke, W. C.; Kerr, T. A.; Sheridan, T. R.; Henling, L. M.; Takase, M. K.; Day, V. W.; Gray, H. B.; Blakemore, J. D., Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)3] and [Re(CO)3] complexes. Dalton Trans. 2021, 50 (8), 2746-2756. 10.1039/d0dt03666h
  13. 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. ChemRxiv 2021, 1-19.
  14. Hopkins Leseberg, J. A.; Lionetti, D.; Day, V. W.; Blakemore, J. D., Electrochemical Kinetic Study of [Cp*Rh] Complexes Supported by Bis(2-pyridyl)methane Ligands. Organometallics 2021, 40 (2), 266-277. 10.1021/acs.organomet.0c00747
  15. Jantz, D. T.; Balla, R. J.; Huang, S.-H.; Kurapati, N.; Amemiya, S.; Leonard, K. C., Simultaneous Intelligent Imaging of Nanoscale Reactivity and Topography by Scanning Electrochemical Microscopy. Anal. Chem. (Washington, DC, U. S.) 2021, 93 (25), 8906-8914. 10.1021/acs.analchem.1c01248
  16. Johnson, S. I.; Blakemore, J. D.; Brunschwig, B. S.; Lewis, N. S.; Gray, H. B.; Goddard, W. A.; Persson, P., Design of robust 2,2'-bipyridine ligand linkers for the stable immobilization of molecular catalysts on silicon(111) surfaces. Phys. Chem. Chem. Phys. 2021, 23 (16), 9921-9929. 10.1039/d1cp00545f
  17. Kelsey, S. R.; Kumar, A.; Oliver, A. G.; Day, V. W.; Blakemore, J. D., Promotion and tuning of the electrochemical reduction of hetero- and homobimetallic zinc complexes. ChemRxiv 2021, 1-12.
  18. Kelsey, S. R.; Kumar, A.; Oliver, A. G.; Day, V. W.; Blakemore, J. D., Promotion and Tuning of the Electrochemical Reduction of Hetero- and Homobimetallic Zinc Complexes. ChemElectroChem 2021, 8 (15), 2792-2802. 10.1002/celc.202100358
  19. Kumar, A.; Barr, J. L.; Cruz, C. A.; Blakemore, J. D., Heterobimetallic [Ti, Al] Complexes: Divergent Synthesis, Redox Properties, and Ethylene Polymerization Catalysis. Organometallics 2021, 40 (13), 2139-2148. 10.1021/acs.organomet.1c00282
  20. Kumar, A.; Blakemore, J. D., On the Use of Aqueous Metal-Aqua pKa Values as a Descriptor of Lewis Acidity. Inorg. Chem. 2021, 60 (2), 1107-1115. 10.1021/acs.inorgchem.0c03239
  21. Kumar, A.; Comadoll, C. G.; King, D. S.; Oliver, A. G.; Day, V. W.; Blakemore, J. D., Incorporation of [Cp*Rh] and [Cp*Ir] Species into Heterobimetallic Complexes via Protonolysis Reactivity and Dioximato Chelation. Inorg. Chem. 2021, 60 (18), 14047-14059. 10.1021/acs.inorgchem.1c01362
  22. Kumar, A.; King, D. S.; Day, V. W.; Blakemore, J. D., Incorporation of [Cp*Rh] and [Cp*Ir] species into heterobimetallic complexes via protonolysis reactivity and dioximato chelation. ChemRxiv 2021, 1-13.
  23. Landge, V. K.; Sonawane, S. H.; Chaudhari, R. V.; Babu, G. U. B., Selective Oxidation of Glycerol: A Biomass-Derived Feedstock Using the Pt-Cu Janus Catalyst for Value-Added Products. Ind. Eng. Chem. Res. 2021, 60 (1), 185-195. 10.1021/acs.iecr.0c04626
  24. Leonard, K. C.; Hasan, F.; Sneddon, H. F.; You, F., Can Artificial Intelligence and Machine Learning Be Used to Accelerate Sustainable Chemistry and Engineering? ACS Sustainable Chem. Eng. 2021, 9 (18), 6126-6129. 10.1021/acssuschemeng.1c02741
  25. Opalade, A. A.; Hessefort, L.; Day, V. W.; Jackson, T. A., Controlling the Reactivity of a Metal-Hydroxo Adduct with a Hydrogen Bond. J. Am. Chem. Soc. 2021, 143 (37), 15159-15175. 10.1021/jacs.1c06199
  26. Opalade, A. A.; Parham, J. D.; Day, V. W.; Jackson, T. A., Characterization and chemical reactivity of room-temperature-stable MnIII-alkylperoxo complexes. Chem. Sci. 2021, Ahead of Print. 10.1039/d1sc01976g
  27. Piskulich, Z. A.; Laage, D.; Thompson, W. H., On the role of hydrogen-bond exchanges in the spectral diffusion of water. J. Chem. Phys. 2021, 154 (6), 064501. 10.1063/5.0041270
  28. Piskulich, Z. A.; Laird, B. B., Molecular Simulations of Phase Equilibria and Transport Properties in a Model CO2-Expanded Lithium Perchlorate Electrolyte. J. Phys. Chem. B 2021, 125 (32), 9341-9349. 10.1021/acs.jpcb.1c05369
  29. Piskulich, Z. A.; Thompson, W. H., Examining the Role of Different Molecular Interactions on Activation Energies and Activation Volumes in Liquid Water. J. Chem. Theory Comput. 2021, 17 (5), 2659-2671. 10.1021/acs.jctc.0c01217
  30. Piskulich, Z. A.; Laage, D.; Thompson, W. H., Using Activation Energies to Elucidate Mechanisms of Water Dynamics. J. Phys. Chem. A 2021, 125 (46), 9941-9952. 10.1021/acs.jpca.1c08020
  31. Roget, S. A.; Fayer, M. D.; Piskulich, Z. A.; Thompson, W. H., Identical Water Dynamics in Acrylamide Hydrogels, Polymers, and Monomers in Solution: Ultrafast IR Spectroscopy and Molecular Dynamics Simulations. J Am Chem Soc 2021, 143 (36), 14855-14868. 10.1021/jacs.1c07151
  32. Satizabal-Gomez, V.; Collazos-Botero, M. A.; Serna-Galvis, E. A.; Torres-Palma, R. A.; Bravo-Suarez, J. J.; Machuca-Martinez, F.; Castilla-Acevedo, S. F., Effect of the presence of inorganic ions and operational parameters on free cyanide degradation by ultraviolet C activation of persulfate in synthetic mining wastewater. Miner. Eng. 2021, 170, 107031. 10.1016/j.mineng.2021.107031
  33. Senanayake, H. S.; Greathouse, J. A.; Ilgen, A. G.; Thompson, W. H., Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores. J. Chem. Phys. 2021, 154 (10), 104503. 10.1063/5.0040739
  34. Seuferling, T. E.; Larson, T. R.; Barforoush, J. M.; Leonard, K. C., Carbonate-Derived Multi-Metal Catalysts for Electrochemical Water-Splitting at High Current Densities. ACS Sustainable Chem. Eng. 2021, 9 (49), 16678-16686. 10.1021/acssuschemeng.1c05519
  35. Singh, P.; Stewart-Jones, E.; Denler, M. C.; Jackson, T. A., Mechanistic insight into oxygen atom transfer reactions by mononuclear manganese(IV)-oxo adducts. Dalton Trans. 2021, 50 (10), 3577-3585. 10.1039/d0dt04436a
  36. Srinivasan, P. D.; Zhu, H.; Bravo-Suarez, J. J., In situ UV-vis plasmon resonance spectroscopic assessment of oxygen and hydrogen adsorption location on supported gold catalysts. Mol. Catal. 2021, 507, 111572. 10.1016/j.mcat.2021.111572
  37. Stalcup, M. A.; Nilles, C. K.; Lee, H.-J.; Subramaniam, B.; Blakemore, J. D.; Leonard, K. C., Organic Electrosynthesis in CO2-eXpanded Electrolytes: Enabling Selective Acetophenone Carboxylation to Atrolatic Acid. ACS Sustainable Chem. Eng. 2021, 9 (31), 10431-10436. 10.1021/acssuschemeng.1c03073
  38. Subramaniam, B.; Allen, D.D.; Hii, K.K.; Colberg, J.; Pradeep, T. Lab to Market: Where the Rubber Meets the Road for Sustainable Chemical Technologies, ACS Sustainable Chem. Eng. 2021 9 (8), 2987-2789.10.1021/acssuschemeng.1c00980
  39. Tang, Y.; Fung, V.; Zhang, X.; Li, Y.; Nguyen, L.; Sakata, T.; Higashi, K.; Jiang, D.-e.; Tao, F. F., Single-Atom High-Temperature Catalysis on a Rh1O5 Cluster for Production of Syngas from Methane. J. Am. Chem. Soc. 2021, 143 (40), 16566-16579. 10.1021/jacs.1c06432
  40. Vandervelden, C.; Jystad, A.; Peters, B.; Caricato, M., Predicted Properties of Active Catalyst Sites on Amorphous Silica: Impact of Silica Preoptimization Protocol. Ind. Eng. Chem. Res. 2021, 60 (35), 12834-12846. 10.1021/acs.iecr.1c01849
  41. Velasquez Morales, S.; Londono, J. D.; Allgeier, A. M. Characterization under Practical Conditions: Time-Domain NMR, X-ray Scattering and Tomography. In Handbook of Porous Materials, World Scientific Publishing Co. Pte. Ltd.: 2021; Vol. 2, pp 71-165. 10.1142/9789811223396_0002
  42. Wang, N.; Allgeier, A. M.; Weatherley, L. R., Controlling reaction rate of phase transfer hydrogenation of acetophenone by application of low external electric field. AIChE J. 2021, 67 (1), e17079. 10.1002/aic.17079
  43. Wang, N.; Allgeier, A. M.; Weatherley, L. R., Electrospray-Based Flow Reaction System for Intensified Transfer Hydrogenation of Acetophenone. Ind. Eng. Chem. Res. 2021, 60 (33), 12244-12251. 10.1021/acs.iecr.1c02025
  44. Wimalasiri, P. N.; Nguyen, N. P.; Senanayake, H. S.; Laird, B. B.; Thompson, W. H., Amorphous Silica Slab Models with Variable Surface Roughness and Silanol Density for Use in Simulations of Dynamics and Catalysis. J. Phys. Chem. C 2021, 125 (42), 23418-23434. 10.1021/acs.jpcc.1c06580
  45. Zhang, K.; Balduf, T.; Caricato, M., Full optical rotation tensor at coupled cluster with single and double excitations level in the modified velocity gauge. Chirality 2021, 33 (6), 303-314. 10.1002/chir.23310
  46. Zhang, S.; Li, Y.; Wang, Z.; Tang, Y.; Huang, X.; House, S. D.; Huang, H.; Zhou, Y.; Shen, W.; Yang, J.; Wang, C.; Zhao, Y.; Schlogl, R.; Hu, P.; Tao, F., Coordination Number-Dependent Complete Oxidation of Methane on NiO Catalysts. ACS Catal. 2021, 11 (15), 9837-9849. 10.1021/acscatal.1c01455
  47. Zhu, H.; Jackson, T. A.; Subramaniam, B., Highly Selective Isobutane Hydroxylation by Ozone in a Pressure-Tuned Biphasic Gas-Liquid Process. ACS Sustainable Chem. Eng. 2021, 9 (16), 5506-5512. 10.1021/acssuschemeng.1c01004