Last week, former member of the IQCC was awarded the prestigious FRIPRO Young Research Talent grant (8 million NOK) for Accurate Prediction and Interpretation of NMR Spectra in Transition-Metal Complexes (SpecTraM) by the Research Council of Norway. With this grant she can start her own research group at the Hylleraas Centre for Quantum Molecular Sciences of the University of Oslo, Norway. Dr. Castro did her PhD thesis with success on “Computational Study of Nuclear Magnetic Resonance Shielding Constants” supervised by Marcel Swart in 2017. Then, she continued her work as postdoc in the research group of Prof. J. Oscar C. Jiménez-Halla at the University of Guanajuato, Mexico and then in 2019 she joined the Hylleraas Centre as postdoctoral researcher with a prestigious MSCA-IF fellowship funded by the European Union.
Abstract SpecTraM: The accurate prediction of NMR (Nuclear Magnetic Resonance) properties in transition-metal complexes provides a useful, but challenging, strategy to help in the interpretation of the spectra. Magnetic shieldings have been said to be sensitive to everything and the enormous challenge when modelling NMR spectra of heavy-nuclei or paramagnetic molecules, arises from the extreme sensitivity to relativistic and environmental effects. SpecTraM will contribute to this challenge, combining state-of-the-art relativistic approaches with robust quantum-chemistry methodologies to reproduce accurate chemical shifts for heavy transition-metal complexes.
The IQCC congratulates her warmly and wishes her success in her new adventure!
Girona, June 28, 2021
For more information: gestor.iqcc@gmail.com