Publication data for: "Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0" (doi:10.18419/darus-1410)

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Publication data for: "Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0"

doi:10.18419/darus-1410

DaRUS

2021-04-12

1

Winkler, Mario, 2021, "Publication data for: "Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0"", https://doi.org/10.18419/darus-1410, DaRUS, V1

Publication data for: "Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0"

doi:10.18419/darus-1410

Winkler, Mario (Universität Stuttgart)

van Slageren, Joris

Ringenberg, Mark

Winkler, Mario

Schnierle, Marc

Ehrlich, Felix

Mehnert, Kim-Isabelle

Burkhardt, Lukas

Sheveleva, Alena

Bauer, Matthias

Tuna, Floriana

358283783 - SFB 1333

DaRUS

Winkler, Mario

van Slageren, Joris

Winkler, Mario

2021-02-22

https://doi.org/10.18419/darus-1410

Chemistry

Physical Chemistry

All primary data files and processed data of the journal article from all affiliated authors to reproduce all simulations and figures used in the main text and supporting information. The data sets are sorted by the measurement technique with the raw data as given by the measurement software and the simulation/plotting/fitting files in the corresponding subfolder. All python .py and matlab .m files have relative paths and can be compiled as long as the original folder structure is remained. Some data are phased or baseline corrected but if so the raw data is also available and the treatment is depicted in the file name. The files for MCD are in the way that the measurement with the magnetic field anti-parallel to the light beam is already subtracted from the measurement in parallel orientation.

M. Winkler, M. Schnierle, F. Ehrlich, K.-I. Mehnert, D. Hunger, A.M. Sheveleva, L. Burkhardt, M. Bauer, F. Tuna, M.R. Ringenberg, J. van Slageren: Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0, Inorg. Chem. 2021, 60, 5, 2856-2865

10.1021/acs.inorgchem.0c03259

M. Winkler, M. Schnierle, F. Ehrlich, K.-I. Mehnert, D. Hunger, A.M. Sheveleva, L. Burkhardt, M. Bauer, F. Tuna, M.R. Ringenberg, J. van Slageren: Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0, Inorg. Chem. 2021, 60, 5, 2856-2865

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10T subtracted.dat

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DiFe2 P2 MCD 20190527 FE VIS 5T 1p5K SUB.txt

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DiFe2 P2 MCD 20190528 FE NIR 5T 1p5K SUB.txt

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DiFeOx3 Prob1 MCD 20190423 FE 10T 1p5K SUB.dat

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FcBArF4 P2 MCD 20190516 FE VIS 0p1T 1p5K SUB.txt

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FcBArF4 P2 MCD 20190520 FE VIS 5T 1p5K SUB.txt

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FcBArF4 P2 MCD 20190520 FE VIS 7T 1p5K SUB.txt

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FcBArF4 P2 MCD 20190523 FE NIR 0p1T 1p5K SUB.txt

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Plotting.py

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182 DiFe P2 MCD 20190528 FE 380nm 0pm10to0T 1p5K 2nmBW 1sAg 1Tm 3260.dat

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MCD_Sweep_V2 and fit 380.py

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5T subtracted.dat

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DiFe2 P2 MCD 20190527 FE VIS 5T 10K SUB.txt

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Fc+_10K.txt

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Fc+_20K.txt

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Fc+_35K.txt

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Fc+_RT.txt

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Vgl_Fc+.py

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DiFeplus_3K_Fit.txt

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DiFeplus_7K_Fit.txt

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Mossbauer_3K_7K.py

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Mossbauer_OxState.py

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Ferrocenium.txt

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ox-235K-MossWin_Versuch1.txt

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ox-3K-MossWin_Versuch5.txt

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ox-50K-MossWin_Versuch1.txt

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ox-7K-MossWin_Versuch1.txt

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ox-90K-MossWin_Versuch1.txt

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ox-RT-MossWin_Versuch4.txt

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diFe_AC_12500Oe.dat

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diFe_AC_Feld.dat

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SQUID_sumchi.py

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DiFe0av20.txt

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Fcplus.txt

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XRay.py

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