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Postdoctoral Fellow

Morello, Glenn Robert

Department of Chemistry

Job description:

Postdoctoral Research Fellow


Centre of Theoretical and Computational Chemistry

Research interests

Our group investigates catalytic reactions towards the synthesis of small molecules. Specifically, exploring the detailed reaction mechanisms of catalytic pathways and understanding the factors that enhace catalyst activity (both rate and selectivity).

Our goal is to replace costly precious metal based catalysts (Ru, Pt, Pd, ...) with  cheaper base metals (Ni, Fe, Co) complexes while maintaining or improving selectivity and efficiency of the catalyst. Using computational methods, mainly density functional theory, for this endeavor provides a relatively cheap way to explore new complexes in a fast and reliable way.

Of course collaboration is needed with synthetic chemists in order to make and test the activity of newly presdicted predicted catalysts. Therefore, our group has close connections with experimentalists working together to tackle problems and test new developments. This collaboration includes organic chemists, physicists, inorganic chemists, and biochemists.


KJE 3102 - Computational Chemistry

Publications in CRIStin

  • Morello, Glenn Robert; Zhong, Hongyu; Chirik, Paul J.; Hopmann, Kathrin Helen. Cobalt-Catalysed Alkene Hydrogenation: A Metallacycle Can Explain the Hydroxyl Activating Effect and the Diastereoselectivity. Chemical Science 2018; Volum 9 (22). ISSN 2041-6520.s 4977 - 4982.s doi: 10.1039/c8sc01315b.

  • Morello, Glenn Robert. Accurate prediction of emission energies with TD-DFT methods for platinum and iridium OLED materials. Journal of Molecular Modeling 2017; Volum 23 (174). ISSN 1610-2940.s 1 - 10.s doi: 10.1007/s00894-017-3348-2.

  • Hopmann, Kathrin Helen; Morello, Glenn Robert. A Dihydride Mechanism Can Explain the Intriguing Substrate Selectivity of Iron-PNP-Mediated Hydrogenation. ACS Catalysis 2017; Volum 7 (9). ISSN 2155-5435.s 5847 - 5855.s doi: 10.1021/acscatal.7b00764.

  • Morello, Glenn Robert; Cundari, Thomas R.. Density Functional Study of Oxygen Insertion into Niobium–Phosphorus Bonds: Novel Mechanism for Liberating P3– Synthons. Organometallics 2016; Volum 35 (20). ISSN 0276-7333.s 3624 - 3634.s doi: 10.1021/acs.organomet.6b00679.

  • Morello, Glenn Robert. Atoms, Orbitals, Bonding & Molecules: Emphasizing the Chemistry in Space Science. Molecules in Astrophysics and Astrobiology 2017-02-13 - 2017-02-17 2017.

  • Morello, Glenn Robert. Organometallic Chemistry in the Arctic: Academia and Industrial uses of Transition Metal Complexes. Lecture 2016-12-15 - 2016-12-15 2016.

  • Morello, Glenn Robert. Inorganic Chemistry: it's not a strange thing...its a useful thing.. Classroom Lecture 2016-09-30 - 2016-09-30 2016.

  • Publications outside Cristin

    Laskowski, Carl A.; Morello, Glenn R.; Saouma, Caroline T.; Cundari, Thomas R.; Hillhouse, Gregory L. “Single-Electron Oxidation of N-Heterocyclic Carbene-Supported Nickel Amides Yielding Benzylic C-H Activation.” Chemical Science, 4 (2013), 170-174. 

    Morello, Glenn R.; Cundari, Thomas R.; Gunnoe, T. Brent. "DFT Study of Group 8 Catalysts for the Hydroarylation of Ethylene: Influence of Ancillary Ligands and Metal Identity." Journal of Organometallic Chemistry 697(1) (2012), 15-22. 

    Cundari, Thomas R.; Morello, Glenn R. "A Computational Study of Metal-Mediated Decomposition of Nitrene Transfer Reagents." Journal of Organic Chemistry 74(15) (2009), 5711-5714. 

    Kazi, Abul B.; Dias, H. V. Rasika; Tekarli, Sammer M.; Morello, Glenn R.; Cundari, Thomas R. "Coinage Metal-Ethylene Complexes Supported by Tris(pyrazolyl)borates: A Computational Study." Organometallics 28(6) (2009), 1826-1831. 

    Cundari, Thomas R.; Jimenez-Halla, J. Oscar C.; Morello, Glenn R.; Vaddadi, Sridhar. "Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation." Journal of the American Chemical Society 130(39) (2008), 13051-13058. 

    Gillespie, Aaron M.; Morello, Glenn R.; White, David P. "De Novo Ligand Design: Understanding Stereoselective Olefin Binding to [(5-C5H5)Re(NO)(PPh3)]+ with Molecular Mechanics, Semiempirical Quantum Mechanics, and Density Functional Theory." Organometallics 21(19) (2002), 3913-3921.