Dr Bengt Tegner b.tegner@hw.ac.uk Bengt's research focuses on modelling organometallic catalysis and reactivity in the solid state using density functional theory. This work is in collaboration with Prof. Andy Weller of the University of York. Bengt did his MSci in physics at the University of Gothenburg before doing his PhD at the University of Edinburgh, working with Prof. Graeme Ackland on the phase stability of titanium alloys as part of a Marie Skłodowska-Curie European Training Network called MaMiNa. He then went on to do a postdoc with Prof. Nikolas Kaltsoyannis, modelling water interactions with actinide oxide surfaces, as part of an EPSRC consortium called DISTINCTIVE. | ||
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Recent Publications |
[10]. | Inverse Isotope Effects in Single-Crystal to Single-Crystal Reactivity and the Isolation of a Rhodium Cyclooctane σ-Alkane Complex |
[9]. | A Series of Crystallographically Characterized Linear and Branched σ-Alkane Complexes of Rhodium: From Propane to 3-Methylpentane |
[8]. | Selectivity of Rh⋯H-C Binding in a σ-Alkane Complex Controlled by the Secondary Microenvironment in the Solid-State. |
[7]. | Computational Studies of the Solid-State Molecular Organometallic (SMOM) Chemistry of Rh σ-Alkane Complexes, in: Structure and Bonding. Springer, Berlin, Heidelberg. |
[6]. | A Structurally Characterized Cobalt(I) sigma-Alkane Complex |
[5]. | Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes |
[4]. | Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries |
[3]. | Modulation of σ-Alkane Interactions in [Rh(L2)(alkane)]+ Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η2;η2-σ-Alkane Rh(I), η1-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation. |
[2]. | Oxygen Vacancy Formation and Water Adsorption on Reduced AnO2 {111}, {110}, and {100} Surfaces (An = U, Pu): A Computational Study |
[1]. | Multiple water layers on AnO2 {111}, {110}, and {100} surfaces (An = U, Pu): A computational study |
Heriot-Watt University, Institute of Chemical Sciences, Edinburgh, Scotland, UK EH14 4AS