Allen Oliver

Research Professor; Director, Molecular Structure Facility

Office
149 Stepan Chemistry
Notre Dame, IN 46556
Phone
+1 574-631-5935
Email
aoliver2@nd.edu

Lab Website

Research Areas

  • Inorganic Chemistry

Research Specialties

  • Materials
  • Measurement

Prospective Graduate Students

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Biography

Year Title
2013-present Research Professor, University of Notre Dame
2008-2013 Associate Research Professor, University of Notre Dame
2006-2008 Associate Specialist, University of California, Santa Cruz
2002-2006 Assistant Specialist, University of California, Berkeley
2000-2002 Postdoctoral Research Scholar, University of California, Berkeley
2000 Ph.D. in Chemistry, Waikato University, New Zealand
1994 M.S. in Chemistry, Waikato University, New Zealand
1993 B.S. in Chemistry, Waikato University, New Zealand

Selected Awards

2024-2025   President of the American Crystallographic Association

2023-2024   Vice President of the American Crystallographic Association

2023   College of Science Outstanding Research Scientist Award

Research Interests

Crystallography is the study of crystals, their form and structure. In chemistry, we most commonly use crystallography to determine the composition and connectivity of the atoms that make up crystals. From this we can get the 3D molecular structure or the extended structure, which is useful to answer questions of coordination, connectivity, function, reactivity, biological activity, and more. Here at Notre Dame, we use crystallography to study models for the heme site in proteins, to study drug candidates, metal-organic frameworks, and the structure of carbohydrates, as well to study more basic questions of coordination chemistry.

The Molecular Structure Facility is a department resource providing single-crystal X-ray structure determinations for researchers both within the department and without. We perform hundreds of experiments each year, using three state of the art instruments. Most of the experiments are performed by students for their own research after coursework and individual training in crystallography.

Selected Publications

  • Stefaniak, M. A.; Gondil, V. S.; Gillis, E. P.; Nemeth, A. M.; Oliver, A. G.; Melander, R. J.; Dunman, P. M. and Melander, C. "Exploration of a Benzothiophene Scaffold for use as Adjuvants with β-Lactam Antibiotics Against Methicillin-Resistant Staphylococcus aureus" 2026 RSC Medicinal Chemistry, 17 (5), pp.2444–2454. DOI: 10.1039/d5md01109d.
  • Weaver, M. C.; Oliver, A. G. and Barstis, T. "Hydrochlorides, Hydrates, Hydronitrate, and an Unanticipated Hydrolysis Product of Famotidine" 2026 Acta Crystallographica Section C-Structural Chemistry, 82, pp.241–249. DOI: 10.1107/S2053229626004122.
  • Sohail, M.; Heinsen, C.; Oliver, A. G. and Tsui, E. Y. "Sulfur Insertion into Group 12 Metal Dithiolate Complexes: Metal-Dependent Equilibria" 2026 Dalton Transactions, 55 (10), pp.4119–4127. DOI: 10.1039/d6dt00074f.
  • Aimiuwu, E. E.; Duda, D. P.; Oliver, A. G.; Dixon, D. A. and Carrick, J. D. "Synthesis of 3,5-Disubstituted-(1H-) and (2H-) Heteroaryl-1,2,4-Triazoles Via an Oxidative Annulation Strategy" 2026 Journal of Organic Chemistry, 91 (7), pp.2900–2914. DOI: 10.1021/acs.joc.5c03029.
  • de Paula, R.; Duarte, V. S.; D'Oliveira, G.; de Castro, M.; Pérez, C. N.; Custódio, J.; Oliver, A. G. and Napolitano, H. B. "The Nitro-Chloro Substitution on Two Quinolinone-Chalcones: From Molecular Modeling to Antioxidant Potential" 2026 ACS Omega, 11 (6), pp.10269–10279. DOI: 10.1021/acsomega.5c11439.
  • Gorbet, M. J.; Prior, T. J.; Oliver, A. G.; Krause, J. A. and Hubin, T. J. "Synthesis and Characterization of Palladium(II) Complexes of Cross-Bridged Tetraazamacrocycles" 2026 Inorganics, 14 (2), 42. DOI: 10.3390/inorganics14020042.