Staff Profile

I obtained my BSc in Chemistry (2011) and MSc in Theoretical and Computational Chemistry (2012) at the Rovira i Virgili University (Spain). In 2012, I joined the Quantum Chemistry Group at the Department of Physical Chemistry and Inorganics at Rovira i Virgili University, where I received a PhD. fellowship (2012-2016) under the supervision of Dr. X. López, Dr. A. Rodríguez-Fortea and Prof. Josep M. Poblet. 

My PhD thesis was based mainly in computational chemistry. As part of my thesis, I studied the reactivity and NMR characterization of Polyoxometalates, from both the computational and experimental point of view. In order to extent my education in this topic, in 2013 I was invited for a 3-month stay at the experimental group lead by Doctor R. John Errington, at Newcastle University (UK). I defended my PhD thesis entitled “Computational Modelling of Polyoxometalates: Progress on the Accurate NMR Characterization and Reactivity” March 2017. During the last year of my PhD studies (2017), I also completed my master's degree in Education (2017).

After my PhD, I was honoured with a competitive Postdoctoral position at Umeå University (Sweden) at the Molecular Geochemistry Laboratory. The project was focused on NMR spectroscopy and equilibrium studies of complex molecules and computational modelling of metal oxide in solution.

In 2019, I started working as Postdoctoral Research Assistant as part of the EPSRC-JSPS Core-to-Core International Network on "Polyoxometalate Science for Advanced Functional Energy Materials" at Newcastle University (UK). The project is based on Polyoxometalates as candidates for energy storage applications.

Scientific background

• 2019-Current, Postdoctoral Research Assistant, (EPSRC-JSPS International Core-to-Core Research Network on Polyoxometalate Science for Advanced Energy Materials, INPOMS), Chemistry, School of Natural and Environmental Science, Newcastle University, Newcastle (UK).
• 2017-2019, Postdoctoral researcher, Molecular Geochemistry Laboratory – Department of Chemistry, University of Umeå, Umeå (Sweden).
• 2016 - 2017, MSc in Education, Rovira i Virgili University, Tarragona (Spain).
• 2012-2017, Ph.D. in Chemical Science and Technology, Quantum Chemistry group – Department of Chemical Physics and Inorganic, Rovira i Virgili University, Tarragona (Spain).
• 2011-2012, MS in Theoretical and Computational Chemistry, Rovira i Virgili University, Tarragona (Spain).
• 2007-2011, Bachelor in Chemistry, Rovira i Virgili University, Tarragona (Spain).

Research interest

My research interests lies on the design of molecular metal oxide clusters for solar energy storage and conversion, electrocatalysis and next-generation batteries applications, combining both experimental and computational disciplines. 

Current work

Energy conversion and storage materials based on electron-rich Polyoxometalates (POMs)

While I have no formal teaching commitments with my current position, I help with the supervision of various undergraduate and MChem projects.

I have previously taught across various Physical chemistry modules at Rovira i Virgili University (Tarragona, Spain) including Physical chemistry laboratory and Summer scientific Courses for High School students.

• Gumerova NI, Caldera Fraile T, Roller A, Giester G, Pascual-Borràs M, Ohlin CA, Rompel A. Direct Single-and Double-side Triol-Functionalization of the Mixed Type Anderson Polyoxotungstate [Cr(OH)₃W₆O₂₁]^6-. Inorganic Chemistry 2019, 58(1), 106-113.
• Rambaran MA, Pascual-Borràs M, Ohlin CA. Microwave Synthesis of Alkali-Free Hexaniobate, Decaniobate and Hexatantalate Polyoxometalates Ions. European Journal of Inorganic Chemistry 2019, 2019(35), 3913-3918.
• Kandasamy B, Bruce PG, Clegg W, Harrington RW, Rodriguez-Fortea A, Pascual-Borras M, Errington RJ. Bonding insights from structural and spectroscopic comparisons of {SnW5} and {TiW5} alkoxido- and aryloxido-substituted Lindqvist polyoxometalates. Chemistry A European Journal 2018, 24(11), 2750-2757.
• Ohlin CA, Pascual-Borràs M. Protonation and water exchange kinetics in sandwich polyoxometalates. Dalton Transactions 2018, 47(38), 13602-13607.
• Ayass WW, Fodor T, Lin Z, Smith RM, Xing X, Abdallah K, Tóth I, Zékány L, Pascual-Borràs M, Rodríguez-Fortea A, Poblet JM, Fan L, Cao J, Keita B, Ullrich MS, Kortz U. Synthesis, structure and antibacterial activity of thallium (III)-containing polyoxometalate. Inorganic Chemistry 2016, 55(20), 10118-10121.
• Pascual-Borràs M, López X, Poblet JM. Accurate calculations of ³¹P NMR chemical shifts in polyoxometalates. Physical Chemistry Chemical Physics 2015, 17(14), 8723-8731.
• Pascual-Borras M, Lopez X, Rodriguez-Fortea A, Errington RJ, Poblet JM. ¹⁷O NMR chemical shifts in oxometalates: from the simplest monometallic species to mixed-metal polyoxometalates. Chemical Science 2014, 5(5), 2031-2042.