Orbital-specific mapping of the ligand exchange dynamics of Fe(CO)5 in solution P Wernet, K Kunnus, I Josefsson, I Rajkovic, W Quevedo, M Beye, ... Nature 520 (7545), 78-81, 2015 | 320 | 2015 |
Ab initio calculations of x-ray spectra: Atomic multiplet and molecular orbital effects in a multiconfigurational scf approach to the l-edge spectra of transition metal complexes I Josefsson, K Kunnus, S Schreck, A Föhlisch, F de Groot, P Wernet, ... The journal of physical chemistry letters 3 (23), 3565-3570, 2012 | 211 | 2012 |
Metalloprotein entatic control of ligand-metal bonds quantified by ultrafast x-ray spectroscopy MW Mara, RG Hadt, ME Reinhard, T Kroll, H Lim, RW Hartsock, ... Science 356 (6344), 1276-1280, 2017 | 140 | 2017 |
Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy KS Kjær, TB Van Driel, TCB Harlang, K Kunnus, E Biasin, K Ledbetter, ... Chemical science 10 (22), 5749-5760, 2019 | 106 | 2019 |
L-edge x-ray absorption spectroscopy of dilute systems relevant to metalloproteins using an x-ray free-electron laser R Mitzner, J Rehanek, J Kern, S Gul, J Hattne, T Taguchi, R Alonso-Mori, ... The journal of physical chemistry letters 4 (21), 3641-3647, 2013 | 95 | 2013 |
Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering K Kunnus, M Vacher, TCB Harlang, KS Kjær, K Haldrup, E Biasin, ... Nature communications 11 (1), 634, 2020 | 93 | 2020 |
Viewing the valence electronic structure of ferric and ferrous hexacyanide in solution from the Fe and cyanide perspectives K Kunnus, W Zhang, MG Delcey, RV Pinjari, PS Miedema, S Schreck, ... The Journal of Physical Chemistry B 120 (29), 7182-7194, 2016 | 93 | 2016 |
A setup for resonant inelastic soft x-ray scattering on liquids at free electron laser light sources K Kunnus, I Rajkovic, S Schreck, W Quevedo, S Eckert, M Beye, E Suljoti, ... Review of Scientific Instruments 83 (12), 2012 | 86 | 2012 |
Dissecting local atomic and intermolecular interactions of transition-metal ions in solution with selective X-ray spectroscopy P Wernet, K Kunnus, S Schreck, W Quevedo, R Kurian, S Techert, ... The journal of physical chemistry letters 3 (23), 3448-3453, 2012 | 78 | 2012 |
Intrinsic deviations in fluorescence yield detected x-ray absorption spectroscopy: the case of the transition metal L2, 3 edges R Kurian, K Kunnus, P Wernet, SM Butorin, P Glatzel, FMF de Groot Journal of Physics: Condensed Matter 24 (45), 452201, 2012 | 71 | 2012 |
Solvent control of charge transfer excited state relaxation pathways in [Fe (2, 2′-bipyridine)(CN) 4] 2− KS Kjær, K Kunnus, TCB Harlang, TB Van Driel, K Ledbetter, ... Physical Chemistry Chemical Physics 20 (6), 4238-4249, 2018 | 64 | 2018 |
Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe (CO) 5 to Fe (CO) 4EtOH K Kunnus, I Josefsson, I Rajkovic, S Schreck, W Quevedo, M Beye, ... Structural Dynamics 3 (4), 2016 | 59 | 2016 |
Hot branching dynamics in a light‐harvesting iron carbene complex revealed by ultrafast X‐ray emission spectroscopy H Tatsuno, KS Kjær, K Kunnus, TCB Harlang, C Timm, M Guo, P Chàbera, ... Angewandte Chemie 132 (1), 372-380, 2020 | 54 | 2020 |
Disentangling transient charge density and metal–ligand covalency in photoexcited ferricyanide with femtosecond resonant inelastic soft X-ray scattering RM Jay, J Norell, S Eckert, M Hantschmann, M Beye, B Kennedy, ... The journal of physical chemistry letters 9 (12), 3538-3543, 2018 | 48 | 2018 |
From Ligand Fields to Molecular Orbitals: Probing the Local Valence Electronic Structure of Ni2+ in Aqueous Solution with Resonant Inelastic X-ray Scattering K Kunnus, I Josefsson, S Schreck, W Quevedo, PS Miedema, S Techert, ... The Journal of Physical Chemistry B 117 (51), 16512-16521, 2013 | 46 | 2013 |
Dynamics of the OH group and the electronic structure of liquid alcohols S Schreck, A Pietzsch, K Kunnus, B Kennedy, W Quevedo, PS Miedema, ... Structural Dynamics 1 (5), 2014 | 44 | 2014 |
Time-resolved electron spectroscopy for chemical analysis of photodissociation: Photoelectron spectra of Fe (CO) 5, Fe (CO) 4, and Fe (CO) 3 T Leitner, I Josefsson, T Mazza, PS Miedema, H Schröder, M Beye, ... The Journal of chemical physics 149 (4), 2018 | 35 | 2018 |
Reduction of electron repulsion in highly covalent Fe-amido complexes counteracts the impact of a weak ligand field on excited-state ordering CB Larsen, JD Braun, IB Lozada, K Kunnus, E Biasin, C Kolodziej, ... Journal of the American Chemical Society 143 (49), 20645-20656, 2021 | 33 | 2021 |
Chemical control of competing electron transfer pathways in iron tetracyano-polypyridyl photosensitizers K Kunnus, L Li, CJ Titus, SJ Lee, ME Reinhard, S Koroidov, KS Kjær, ... Chemical Science 11 (17), 4360-4373, 2020 | 30 | 2020 |
The nature of frontier orbitals under systematic ligand exchange in (pseudo-) octahedral Fe (II) complexes RM Jay, S Eckert, M Fondell, PS Miedema, J Norell, A Pietzsch, ... Physical Chemistry Chemical Physics 20 (44), 27745-27751, 2018 | 26 | 2018 |