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Claire McMullin

Dr

 https://orcid.org/0000-0002-4924-2890
20162022

Research output per year

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Personal profile

Research interests

Computational studies of organometallic reaction systems using predominately Density Functional Theory (DFT). These include:

  • C-H Activation
  • Nucleophilic Boryls
  • Cross-Coupling
  • Latent Steric Parameters

Teaching interests

I currently lecture on the Y2 courses "Introduction to Computational Chemistry" and "Group Theory".

I am also involved in the computational labs for Y1 and Y2 students, and am Director of Undergraduate Studies for Year 1.

Finally, I organise and schedule the Chemistry Key Skills sessions we run throughout the academic year for Y1, Y2 and final year Chemistry students.

Education/Academic qualification

Chemistry, University of Bristol

1 Oct 2007 → 21 Jul 2011

External positions

Post-Doctoral Research Associate, Heriot-Watt University

26 Aug 2012 → 1 Aug 2015

Post-Doctoral Research Associate, University of North Texas

17 Aug 2011 → 8 Aug 2012

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Projects

Nucleophilic alkaline earth boryls: from conception and theory to application

Hill, M., Cresswell, A. & McMullin, C.

Engineering and Physical Sciences Research Council

1/05/18 → 30/04/22

Project: Research council

    • Research Output

    A Stable Calcium Alumanyl

    Hill, M., Schwamm, R., Coles, M., Mahon, M., McMullin, C., Rajabi, N. & Wilson, A., 2 Mar 2020, In : Angewandte Chemie-International Edition. 59, 10, p. 3928-3932

    Research output: Contribution to journal › Article

    Reductive dehydrocoupling of diphenyltin dihydride with LiAlH4: Selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide

    Steller, B. G., Fischer, R. C., Flock, M., Hill, M. S., Liptrot, D. J., McMullin, C. L., Rajabi, N. A., Tiefling, K. & Wilson, A. S. S., 1 Jan 2020, In : Chemical Communications. 56, 3, p. 336-339 4 p.

    Research output: Contribution to journal › Article

    Open Access

    A computational study on the identity of the active catalyst structure for Ru(II) carboxylate assisted C–H activation in acetonitrile

    McMullin, C., Rajabi, N. & Hammerton, J., 25 Jun 2019, In : Organic & Biomolecular Chemistry. 17, 27, p. 6678-6686 9 p.

    Research output: Contribution to journal › Article

    Open Access

    Azulene-Derived Fluorescent Probe for Bioimaging: Detection of Reactive Oxygen and Nitrogen Species by Two-Photon Microscopy

    Murfin, L. C., Weber, M., Park, S. J., Kim, W. T., Lopez-Alled, C. M., McMullin, C. L., Pradaux-Caggiano, F., Lyall, C. L., Kociok-Köhn, G., Wenk, J., Bull, S. D., Yoon, J., Kim, H. M., James, T. D. & Lewis, S. E., 11 Dec 2019, In : Journal of the American Chemical Society. 141, 49, p. 19389-19396 8 p.

    Research output: Contribution to journal › Article

    Open Access
    File
    2 Downloads (Pure)

    Azulenes with aryl substituents bearing pentafluorosulfanyl groups: synthesis, spectroscopic and halochromic properties

    Webster, S. J., López-Alled, C. M., Liang, X., McMullin, C. L., Kociok-Köhn, G., Lyall, C. L., James, T. D., Wenk, J., Cameron, P. J. & Lewis, S. E., 1 Jan 2019, In : New Journal of Chemistry. 43, 2, p. 992-1000 9 p.

    Research output: Contribution to journal › Article

    Open Access
    File
    4 Citations (Scopus)
    34 Downloads (Pure)