Direct Determination of Absolute Absorption Cross Sections at the L-Edge of Dilute Mn Complexes in Solution Using a Transmission Flatjet

Kubin, Markus; Guo, Meiyuan; Ekimova, Maria; Baker, Michael L.; Kroll, Thomas; Kallman, Erik; Kern, Jan; Yachandra, Vittal K.; Yano, Junko; Nibbering, Erik T.  J.; Lundberg, Marcus; Wernet, Philippe

doi:10.1021/acs.inorgchem.8b00419

Title: Direct Determination of Absolute Absorption Cross Sections at the L-Edge of Dilute Mn Complexes in Solution Using a Transmission Flatjet

Journal Article · Tue Apr 10 00:00:00 EDT 2018 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.8b00419· OSTI ID:1461761

^[1]; Guo, Meiyuan ^[2]; Ekimova, Maria ^[3]; Baker, Michael L. ^[4]; Kroll, Thomas ^[5]; Kallman, Erik ^[2]; Kern, Jan ^[6]; Yachandra, Vittal K. ^[6];

^[6];

^[3];

^[2];

^[1]

Helmholtz Center for Materials and Energy, Berlin (Germany). Inst. for Methods and Instrumentation for Synchrotron Radiation Research
Uppsala Univ. (Sweden). Dept. of Chemistry. Ångström Lab.
Max Born Inst. for Nonlinear Optics and Short Pulse Spectroscopy, Berlin (Germany)
Univ. of Manchester at Harwell, Didcot (United Kingdom). The School of Chemistry
SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Biophysics and Integrated Bioimaging Division

The 3d transition metals play a pivotal role in many charge transfer processes in catalysis and biology. X-ray absorption spectroscopy at the L-edge of metal sites probes metal 2p-3d excitations, providing key access to their valence electronic structure, which is crucial for understanding these processes. We report L-edge absorption spectra of MnII(acac)2and MnIII(acac)3complexes in solution, utilizing a liquid flatjet for X-ray absorption spectroscopy in transmission mode. With this, we derive absolute absorption cross-sections for the L-edge transitions with peak magnitudes as large as 12 and 9 Mb for MnII(acac)2and MnIII(acac)3, respectively. We provide insight into the electronic structure with ab initio restricted active space calculations of these L-edge transitions, reproducing the experimental spectra with excellent agreement in terms of shapes, relative energies, and relative intensities for the two complexes. Crystal field multiplet theory is used to assign spectral features in terms of the electronic structure. Comparison to charge transfer multiplet calculations reveals the importance of charge transfer in the core-excited final states. On the basis of our experimental observations, we extrapolate the feasibility of 3d transition metal L-edge absorption spectroscopy using the liquid flatjet approach in probing highly dilute biological solution samples and possible extensions to table-top soft X-ray sources.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Uppsala Univ. (Sweden); Helmholtz Center for Materials and Energy, Berlin (Germany); Max Born Inst. for Nonlinear Optics and Short Pulse Spectroscopy, Berlin (Germany)

Sponsoring Organization:: USDOE Office of Science (SC), Biological and Environmental Research (BER); USDOE Office of Science (SC), Basic Energy Sciences (BES); National Inst. of Health (NIH) (United States); Human Frontier Science Program (HFSP); Swedish Research Council (SRC); Knut and Alice Wallenberg Foundation (Sweden); German Research Foundation (DFG)

Grant/Contract Number:: AC02-76SF00515; AC02-05CH11231; P41GM103393; GM110501; GM126289; GM55302; RGP0063/2013; KAW-2013.0020; DFG-NI 492/11-1

OSTI ID:: 1461761

Alternate ID(s):: OSTI ID: 1477295

Journal Information:: Inorganic Chemistry, Vol. 57, Issue 9; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 28 works

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References (80)

Branching ratio in x-ray absorption spectroscopy Thole, B. T.; van der Laan, G. Physical Review B, Vol. 38, Issue 5 https://doi.org/10.1103/PhysRevB.38.3158	journal	August 1988
Extended x-ray-absorption fine structure of liquid water Yang, B. X.; Kirz, J. Physical Review B, Vol. 36, Issue 2 https://doi.org/10.1103/PhysRevB.36.1361	journal	July 1987
Multiplet effects in X-ray spectroscopy Groot, Frank de Coordination Chemistry Reviews, Vol. 249, Issue 1-2 https://doi.org/10.1016/j.ccr.2004.03.018	journal	January 2005
Time-resolved x-ray absorption spectroscopy with a water window high-harmonic source Pertot, Yoann; Schmidt, Cédric; Matthews, Mary Science, Vol. 355, Issue 6322 https://doi.org/10.1126/science.aah6114	journal	January 2017
Calculated and experimental geometries and infrared spectra of metal tris-acetylacetonates: vibrational spectroscopy as a probe of molecular structure for ionic complexes. Part II Diaz-Acosta, Irina; Baker, Jon; Hinton, James F. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 59, Issue 2 https://doi.org/10.1016/S1386-1425(02)00166-X	journal	January 2003
State-dependent fluorescence yields through the core-valence Coulomb exchange parameter Miedema, Piter S.; Wernet, Philippe; Föhlisch, Alexander Physical Review A, Vol. 89, Issue 5 https://doi.org/10.1103/PhysRevA.89.052507	journal	May 2014
Multiplet ligand-field theory using Wannier orbitals Haverkort, M. W.; Zwierzycki, M.; Andersen, O. K. Physical Review B, Vol. 85, Issue 16 https://doi.org/10.1103/PhysRevB.85.165113	journal	April 2012
A setup for resonant inelastic soft x-ray scattering on liquids at free electron laser light sources Kunnus, Kristjan; Rajkovic, Ivan; Schreck, Simon Review of Scientific Instruments, Vol. 83, Issue 12 https://doi.org/10.1063/1.4772685	journal	December 2012
Generation of Coherent Soft-X-Ray Radiation Extending Far Beyond the Titanium $L$ Edge Seres, Enikö; Seres, József; Krausz, Ferenc Physical Review Letters, Vol. 92, Issue 16 https://doi.org/10.1103/PhysRevLett.92.163002	journal	April 2004
The variable polarization undulator beamline UE52 SGM at BESSY II Miedema, Piter Sybren; Quevedo, Wislon; Fondell, Mattis Journal of large-scale research facilities JLSRF, Vol. 2 https://doi.org/10.17815/jlsrf-2-79	journal	January 2016
Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers Kubin, Markus; Kern, Jan; Gul, Sheraz Structural Dynamics, Vol. 4, Issue 5 https://doi.org/10.1063/1.4986627	journal	September 2017
Shrinking the Synchrotron: Tabletop Extreme Ultraviolet Absorption of Transition-Metal Complexes Zhang, Kaili; Lin, Ming-Fu; Ryland, Elizabeth S. The Journal of Physical Chemistry Letters, Vol. 7, Issue 17 https://doi.org/10.1021/acs.jpclett.6b01393	journal	August 2016
A sample holder for soft x-ray absorption spectroscopy of liquids in transmission mode Schreck, Simon; Gavrila, Gianina; Weniger, Christian Review of Scientific Instruments, Vol. 82, Issue 10 https://doi.org/10.1063/1.3644192	journal	October 2011
2 p x-ray absorption of 3 d transition-metal compounds: An atomic multiplet description including the crystal field de Groot, F. M. F.; Fuggle, J. C.; Thole, B. T. Physical Review B, Vol. 42, Issue 9 https://doi.org/10.1103/PhysRevB.42.5459	journal	September 1990
3d x-ray-absorption lines and the 3 $d^{9}$ 4 $f^{n + 1}$ multiplets of the lanthanides Thole, B. T.; van der Laan, G.; Fuggle, J. C. Physical Review B, Vol. 32, Issue 8 https://doi.org/10.1103/PhysRevB.32.5107	journal	October 1985
The crystal structure of an oxygen-tolerant hydrogenase uncovers a novel iron-sulphur centre Fritsch, Johannes; Scheerer, Patrick; Frielingsdorf, Stefan Nature, Vol. 479, Issue 7372 https://doi.org/10.1038/nature10505	journal	October 2011
Iron L-Edge X-ray Absorption Spectroscopy of Oxy-Picket Fence Porphyrin: Experimental Insight into Fe–O ₂ Bonding Wilson, Samuel A.; Kroll, Thomas; Decreau, Richard A. Journal of the American Chemical Society, Vol. 135, Issue 3 https://doi.org/10.1021/ja3103583	journal	January 2013
Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra: Effects of the Active-Space Selection on the L-Edge XAS Spectra Pinjari, Rahul V.; Delcey, Mickaël G.; Guo, Meiyuan Journal of Computational Chemistry, Vol. 37, Issue 5 https://doi.org/10.1002/jcc.24237	journal	October 2015
Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives Kunnus, Kristjan; Zhang, Wenkai; Delcey, Mickaël G. The Journal of Physical Chemistry B, Vol. 120, Issue 29 https://doi.org/10.1021/acs.jpcb.6b04751	journal	July 2016
Photo-Induced Spin-State Conversion in Solvated Transition Metal Complexes Probed via Time-Resolved Soft X-ray Spectroscopy Huse, Nils; Kim, Tae Kyu; Jamula, Lindsey Journal of the American Chemical Society, Vol. 132, Issue 19 https://doi.org/10.1021/ja101381a	journal	May 2010
Dissecting Local Atomic and Intermolecular Interactions of Transition-Metal Ions in Solution with Selective X-ray Spectroscopy Wernet, Philippe; Kunnus, Kristjan; Schreck, Simon The Journal of Physical Chemistry Letters, Vol. 3, Issue 23 https://doi.org/10.1021/jz301486u	journal	November 2012
Laser-driven soft-X-ray undulator source Fuchs, Matthias; Weingartner, Raphael; Popp, Antonia Nature Physics, Vol. 5, Issue 11 https://doi.org/10.1038/nphys1404	journal	September 2009
Unraveling the Electronic Structure of Photocatalytic Manganese Complexes by L-Edge X-ray Spectroscopy Bokarev, Sergey I.; Khan, Munirah; Abdel-Latif, Mahmoud K. The Journal of Physical Chemistry C, Vol. 119, Issue 33 https://doi.org/10.1021/acs.jpcc.5b05169	journal	August 2015
Steric hindrance of ion-ion interaction in electrolytes Aziz, Emad F.; Freiwald, M.; Eisebitt, S. Physical Review B, Vol. 73, Issue 7 https://doi.org/10.1103/PhysRevB.73.075120	journal	February 2006
X-ray absorption and dichroism of transition metals and their compounds de Groot, F. M. F. Journal of Electron Spectroscopy and Related Phenomena, Vol. 67, Issue 4 https://doi.org/10.1016/0368-2048(93)02041-J	journal	August 1994
A molecular beam study of the evaporation of water from a liquid jet Faubel, M.; Schlemmer, S.; Toennies, J. P. Zeitschrift f�r Physik D Atoms, Molecules and Clusters, Vol. 10, Issue 2-3 https://doi.org/10.1007/BF01384861	journal	June 1988
Intrinsic deviations in fluorescence yield detected x-ray absorption spectroscopy: the case of the transition metal L _2,3 edges Kurian, Reshmi; Kunnus, Kristjan; Wernet, Philippe Journal of Physics: Condensed Matter, Vol. 24, Issue 45 https://doi.org/10.1088/0953-8984/24/45/452201	journal	October 2012
L-Edge X-ray Absorption Spectroscopy of Dilute Systems Relevant to Metalloproteins Using an X-ray Free-Electron Laser Mitzner, Rolf; Rehanek, Jens; Kern, Jan The Journal of Physical Chemistry Letters, Vol. 4, Issue 21 https://doi.org/10.1021/jz401837f	journal	October 2013
X-ray Spectroscopy of Liquid Water Microjets Wilson, Kevin R.; Rude, Bruce S.; Catalano, Tony The Journal of Physical Chemistry B, Vol. 105, Issue 17 https://doi.org/10.1021/jp010132u	journal	May 2001
Mn(acac) 2 and Mn(acac) 3 complexes, a theoretical modeling of their L 2,3 -edges X-ray absorption spectra Carlotto, Silvia; Sambi, Mauro; Vittadini, Andrea Polyhedron, Vol. 135 https://doi.org/10.1016/j.poly.2017.07.007	journal	October 2017
Development of a liquid flow cell to measure soft X-ray absorption in transmission mode: A test for liquid water Nagasaka, Masanari; Hatsui, Takaki; Horigome, Toshio Journal of Electron Spectroscopy and Related Phenomena, Vol. 177, Issue 2-3 https://doi.org/10.1016/j.elspec.2009.11.001	journal	March 2010
Hole-lifetime width: a comparison between theory and experiment Ohno, Masahide; van Riessen, Grant A. Journal of Electron Spectroscopy and Related Phenomena, Vol. 128, Issue 1 https://doi.org/10.1016/S0368-2048(02)00210-4	journal	January 2003
MOLCAS 7: The Next Generation Aquilante, Francesco; De Vico, Luca; FerrÃ©, Nicolas Journal of Computational Chemistry, Vol. 31, Issue 1 https://doi.org/10.1002/jcc.21318	journal	January 2010
Electron transfer in nitrogenase catalysis Seefeldt, Lance C.; Hoffman, Brian M.; Dean, Dennis R. Current Opinion in Chemical Biology, Vol. 16, Issue 1-2 https://doi.org/10.1016/j.cbpa.2012.02.012	journal	April 2012
Manganese L-Edge X-ray Absorption Spectroscopy of Manganese Catalase from Lactobacillus plantarum and Mixed Valence Manganese Complexes Grush, M. M.; Chen, J.; Stemmler, T. L. Journal of the American Chemical Society, Vol. 118, Issue 1 https://doi.org/10.1021/ja951614k	journal	January 1996
The Jahn-Teller effect in manganic acetylacetonate Forman, A.; Orgel, L. E. Molecular Physics, Vol. 2, Issue 4 https://doi.org/10.1080/00268975900100341	journal	October 1959
High-flux table-top soft x-ray source driven by sub-2-cycle, CEP stable, 185-μm 1-kHz pulses for carbon K-edge spectroscopy Cousin, S. L.; Silva, F.; Teichmann, S. Optics Letters, Vol. 39, Issue 18 https://doi.org/10.1364/OL.39.005383	journal	January 2014
Fluorescence yield detection: Why it does not measure the X-ray absorption cross section de Groot, F. M. F.; Arrio, M. A.; Sainctavit, Ph. Solid State Communications, Vol. 92, Issue 12 https://doi.org/10.1016/0038-1098(94)90027-2	journal	December 1994
The restricted active space (RAS) state interaction approach with spin–orbit coupling Malmqvist, Per Åke; Roos, Björn O.; Schimmelpfennig, Bernd Chemical Physics Letters, Vol. 357, Issue 3-4 https://doi.org/10.1016/S0009-2614(02)00498-0	journal	May 2002
Probing Valence Orbital Composition with Iron Kβ X-ray Emission Spectroscopy Lee, Nicole; Petrenko, Taras; Bergmann, Uwe Journal of the American Chemical Society, Vol. 132, Issue 28 https://doi.org/10.1021/ja101281e	journal	July 2010
The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO2 and Cu2O2 systems Malmqvist, Per Åke; Pierloot, Kristine; Shahi, Abdul Rehaman Moughal The Journal of Chemical Physics, Vol. 128, Issue 20 https://doi.org/10.1063/1.2920188	journal	May 2008
Aqueous Solvation of Ammonia and Ammonium: Probing Hydrogen Bond Motifs with FT-IR and Soft X-ray Spectroscopy Ekimova, Maria; Quevedo, Wilson; Szyc, Łukasz Journal of the American Chemical Society, Vol. 139, Issue 36 https://doi.org/10.1021/jacs.7b07207	journal	August 2017
Bright Coherent Ultrahigh Harmonics in the keV X-ray Regime from Mid-Infrared Femtosecond Lasers Popmintchev, T.; Chen, M. -C.; Popmintchev, D. Science, Vol. 336, Issue 6086 https://doi.org/10.1126/science.1218497	journal	June 2012
Mn ₄ Ca Cluster in Photosynthesis: Where and How Water is Oxidized to Dioxygen Yano, Junko; Yachandra, Vittal Chemical Reviews, Vol. 114, Issue 8 https://doi.org/10.1021/cr4004874	journal	March 2014
X-ray damage to the Mn4Ca complex in single crystals of photosystem II: A case study for metalloprotein crystallography Yano, J.; Kern, J.; Irrgang, K. -D. Proceedings of the National Academy of Sciences, Vol. 102, Issue 34 https://doi.org/10.1073/pnas.0505207102	journal	August 2005
X-Ray Interactions: Photoabsorption, Scattering, Transmission, and Reflection at E = 50-30,000 eV, Z = 1-92 Henke, B. L.; Gullikson, E. M.; Davis, J. C. Atomic Data and Nuclear Data Tables, Vol. 54, Issue 2, p. 181-342 https://doi.org/10.1006/adnd.1993.1013	journal	July 1993
Crystal Spectra of Some Trisacetylacetonates Piper, T. S.; Carlin, Richard L. Inorganic Chemistry, Vol. 2, Issue 2 https://doi.org/10.1021/ic50006a005	journal	April 1963
The CTM4XAS program for EELS and XAS spectral shape analysis of transition metal L edges Stavitski, Eli; de Groot, Frank M. F. Micron, Vol. 41, Issue 7 https://doi.org/10.1016/j.micron.2010.06.005	journal	October 2010
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 Josefsson, Ida; Kunnus, Kristjan; Schreck, Simon The Journal of Physical Chemistry Letters, Vol. 3, Issue 23 https://doi.org/10.1021/jz301479j	journal	November 2012
L-edge spectroscopy of dilute, radiation-sensitive systems using a transition-edge-sensor array Titus, Charles J.; Baker, Michael L.; Lee, Sang Jun The Journal of Chemical Physics, Vol. 147, Issue 21 https://doi.org/10.1063/1.5000755	journal	December 2017
Theoretical investigations of structure and mechanism of the oxygen-evolving complex in PSII Lundberg, Marcus; Siegbahn, Per E. M. Physical Chemistry Chemical Physics, Vol. 6, Issue 20 https://doi.org/10.1039/b406552b	journal	January 2004
A liquid flatjet system for solution phase soft-x-ray spectroscopy Ekimova, Maria; Quevedo, Wilson; Faubel, Manfred Structural Dynamics, Vol. 2, Issue 5 https://doi.org/10.1063/1.4928715	journal	August 2015
Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction Attar, Andrew R.; Bhattacherjee, Aditi; Pemmaraju, C. D. Science, Vol. 356, Issue 6333 https://doi.org/10.1126/science.aaj2198	journal	April 2017
Ligand field strengths and oxidation states from manganese L-edge spectroscopy Cramer, S. P.; DeGroot, F. M. F.; Ma, Y. Journal of the American Chemical Society, Vol. 113, Issue 21 https://doi.org/10.1021/ja00021a018	journal	October 1991
Crystal Structure of Trimeric Bis(Acetylacetonato)Manganese(Ii) Shibata, Shuzo; Onuma, Shigeki; Inoue, Hironao Chemistry Letters, Vol. 13, Issue 4 https://doi.org/10.1246/cl.1984.485	journal	April 1984
High average power, highly brilliant laser-produced plasma source for soft X-ray spectroscopy Mantouvalou, Ioanna; Witte, Katharina; Grötzsch, Daniel Review of Scientific Instruments, Vol. 86, Issue 3 https://doi.org/10.1063/1.4916193	journal	March 2015
Redox chemistry for the mononuclear tris(picolinato)- tris(acetylacetonata)-, and tris(8-quinolinata)manganese(III) complexes: reaction mimics for the water-oxidation cofactor in photosystem II Yamaguchi, Kenneth; Sawyer, Donald T. Inorganic Chemistry, Vol. 24, Issue 6 https://doi.org/10.1021/ic00200a032	journal	March 1985
Time-resolved soft X-ray absorption spectroscopy in transmission mode on liquids at MHz repetition rates Fondell, Mattis; Eckert, Sebastian; Jay, Raphael M. Structural Dynamics, Vol. 4, Issue 5 https://doi.org/10.1063/1.4993755	journal	September 2017
Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method Guo, Meiyuan; Sørensen, Lasse Kragh; Delcey, Mickaël G. Physical Chemistry Chemical Physics, Vol. 18, Issue 4 https://doi.org/10.1039/C5CP07487H	journal	January 2016
Liquid microjet for photoelectron spectroscopy Winter, Bernd Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 601, Issue 1-2 https://doi.org/10.1016/j.nima.2008.12.108	journal	March 2009
Core Level Spectroscopy of Solids de Groot, Frank; Kotani, Akio CRC Press https://doi.org/10.1201/9781420008425	book	January 2008
Fe L-Edge X-ray Absorption Spectroscopy of Low-Spin Heme Relative to Non-heme Fe Complexes: Delocalization of Fe d-Electrons into the Porphyrin Ligand Hocking, Rosalie K.; Wasinger, Erik C.; Yan, Yi-Long Journal of the American Chemical Society, Vol. 129, Issue 1 https://doi.org/10.1021/ja065627h	journal	January 2007
Soft X-ray emission and absorption—a comparative study on the sensitivity to oxidation state and ligand environment of transition metal complexes Grush, M. M.; Muramatsu, Y.; Underwood, J. H. Journal of Electron Spectroscopy and Related Phenomena, Vol. 92, Issue 1-3 https://doi.org/10.1016/S0368-2048(98)00126-1	journal	May 1998
Differences between L ₃ and L ₂ x‐ray absorption spectra of transition metal compounds de Groot, F. M. F.; Hu, Z. W.; Lopez, M. F. The Journal of Chemical Physics, Vol. 101, Issue 8 https://doi.org/10.1063/1.468351	journal	October 1994
Manganese Kβ X-ray Emission Spectroscopy As a Probe of Metal–Ligand Interactions Beckwith, Martha A.; Roemelt, Michael; Collomb, Marie-Noëlle Inorganic Chemistry, Vol. 50, Issue 17 https://doi.org/10.1021/ic200970t	journal	September 2011
Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states Pinjari, Rahul V.; Delcey, Mickaël G.; Guo, Meiyuan The Journal of Chemical Physics, Vol. 141, Issue 12 https://doi.org/10.1063/1.4896373	journal	September 2014
Towards an ab initio theory for metal L-edge soft X-ray spectroscopy of molecular aggregates Preuße, Marie; Bokarev, Sergey I.; Aziz, Saadullah G. Structural Dynamics, Vol. 3, Issue 6 https://doi.org/10.1063/1.4961953	journal	August 2016
Fe L-Edge XAS Studies of K ₄ [Fe(CN) ₆ ] and K ₃ [Fe(CN) ₆ ]: A Direct Probe of Back-Bonding Hocking, Rosalie K.; Wasinger, Erik C.; de Groot, Frank M. F. Journal of the American Chemical Society, Vol. 128, Issue 32 https://doi.org/10.1021/ja061802i	journal	August 2006
Bulk-Sensitive Detection of the Total Ion Yield for X-ray Absorption Spectroscopy in Liquid Cells Schön, Daniela; Golnak, Ronny; Tesch, Marc F. The Journal of Physical Chemistry Letters, Vol. 8, Issue 20 https://doi.org/10.1021/acs.jpclett.7b02381	journal	October 2017
Distortions of the coordination polyhedron in high-spin manganese(III) complexes. 2. Crystal structure of thiocyanatobis(acetylacetonato)manganese(III) Stults, B. Ray; Day, Roberta O.; Marianelli, Robert S. Inorganic Chemistry, Vol. 18, Issue 7 https://doi.org/10.1021/ic50197a027	journal	July 1979
Molecular Orbital Simulations of Metal 1s2p Resonant Inelastic X-ray Scattering Guo, Meiyuan; Källman, Erik; Sørensen, Lasse Kragh The Journal of Physical Chemistry A, Vol. 120, Issue 29 https://doi.org/10.1021/acs.jpca.6b05139	journal	July 2016
Orbital-specific mapping of the ligand exchange dynamics of Fe(CO)5 in solution Wernet, Ph.; Kunnus, K.; Josefsson, I. Nature, Vol. 520, Issue 7545 https://doi.org/10.1038/nature14296	journal	April 2015
The 2p absorption spectra of 3d transition metal compounds in tetrahedral and octahedral symmetry Laan, G. van der; Kirkman, I. W. Journal of Physics: Condensed Matter, Vol. 4, Issue 16 https://doi.org/10.1088/0953-8984/4/16/019	journal	April 1992
Fe L-Edge X-ray Absorption Spectroscopy Determination of Differential Orbital Covalency of Siderophore Model Compounds: Electronic Structure Contributions to High Stability Constants Hocking, Rosalie K.; DeBeer George, Serena; Raymond, Kenneth N. Journal of the American Chemical Society, Vol. 132, Issue 11 https://doi.org/10.1021/ja9090098	journal	March 2010
L-edge X-ray Absorption Spectroscopy of Non-Heme Iron Sites: Experimental Determination of Differential Orbital Covalency Wasinger, Erik C.; de Groot, Frank M. F.; Hedman, Britt Journal of the American Chemical Society, Vol. 125, Issue 42 https://doi.org/10.1021/ja034634s	journal	October 2003
The electronic properties of three popular high spin complexes [TM(acac) ₃ , TM = Cr, Mn, and Fe] revisited: an experimental and theoretical study Carlotto, S.; Floreano, L.; Cossaro, A. Physical Chemistry Chemical Physics, Vol. 19, Issue 36 https://doi.org/10.1039/C7CP04461E	journal	January 2017
A close look at dose: Toward L-edge XAS spectral uniformity, dose quantification and prediction of metal ion photoreduction van Schooneveld, M. M.; DeBeer, S. Journal of Electron Spectroscopy and Related Phenomena, Vol. 198 https://doi.org/10.1016/j.elspec.2014.12.001	journal	January 2015
X-ray Absorption Spectroscopy Measurements of Liquid Water Näslund, L. -Å.; Lüning, J.; Ufuktepe, Y. The Journal of Physical Chemistry B, Vol. 109, Issue 28 https://doi.org/10.1021/jp052046q	journal	July 2005
The Electronic Structure of Mn in Oxides, Coordination Complexes, and the Oxygen-Evolving Complex of Photosystem II Studied by Resonant Inelastic X-ray Scattering Glatzel, Pieter; Bergmann, Uwe; Yano, Junko Journal of the American Chemical Society, Vol. 126, Issue 32 https://doi.org/10.1021/ja038579z	journal	August 2004
Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies Kubin, Markus; Guo, Meiyuan; Kroll, Thomas Chemical Science, Vol. 9, Issue 33 https://doi.org/10.1039/C8SC00550H	journal	January 2018

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