Allen Oliver

Research Professor; Director, Molecular Structure Facility

149 Stepan Chemistry
Notre Dame, IN 46556
+1 574-631-5935


Research Areas

  • Inorganic Chemistry

Research Specialties

  • Materials
  • Measurement

Prospective Graduate Students

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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<

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

  • Dopp, C. M.; Golwankar, R. R.; Kelsey, S. R.; Douglas, J. T.; Erickson, A. N.; Oliver, A. G.; Day, C. S.; Day, V. W. and Blakemore, J. D. "Vanadyl as a Spectroscopic Probe of Tunable Ligand Donor Strength in Bimetallic Complexes" 2023 Inorganic Chemistry, 62 (25), pp.9827-9843. DOI: 10.1021/acs.inorgchem.3c00724.
  • Li, D. H.; Gamage, R. S.; Oliver, A. G.; Patel, N. L.; Usama, S. M.; Kalen, J. D.; Schnermann, M. J. and Smith, B. D. "Doubly Strapped Zwitterionic NIR-I and NIR-II Heptamethine Cyanine Dyes for Bioconjugation and Fluorescence Imaging" 2023 Angewandte Chemie-International Edition, 62 (28), e202305062. DOI: 10.1002/anie.202305062.
  • Adhikary, A.; Saha, S.; Kumar, N. S.; Oliver, A. G.; Krause, J. A. and Guan, H. R. "Pitfalls for POCOP-Type Palladium Pincer Complexes in Catalytic Reduction of CO2 with Catecholborane" 2023 Organometallics, 42 (13), pp.1525-1537. DOI: 10.1021/acs.organomet.3c00126.
  • Tetrault, T.; Meredith, R. J.; Yoon, M. K.; Canizares, C.; Oliver, A. G.; Carmichael, I. and Serianni, A. S. "One-Bond C-13-C-13 Spin-Coupling Constants in Saccharides: A Comparison of Experimental and Calculated Values by Density Functional Theory using Solid-State C-13 NMR and X-Ray Crystallography" 2023 Physical Chemistry Chemical Physics, 25 (23), pp.16048-16059. DOI: 10.1039/d2cp05363b.
  • Kollitz, M. R.; Lappin, A. G. and Oliver, A. G. "Double-Salt Formation in Crystal Structures Containing [Co(En)(3)]Cl-3" 2023 Acta Crystallographica Section C-Structural Chemistry, 79, pp.164-169. DOI: 10.1107/S2053229623002711.
  • Silva, M. C.; Duarte, V. S.; Sallum, L. O.; Cunha, G.; Custodio, J.; Oliver, A. G.; Peixoto, J. C.; Menezes, A. and Napolitano, H. B. "Molecular Modeling Studies of β-Sitosterol Extract from Miconia Burchellii Triana (Melastomataceae) from Brazilian Cerrado" 2023 Journal of the Brazilian Chemical Society, 34 (9), pp.1293-1302. DOI: 10.21577/0103-5053.20230040.