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Related identifier:
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Creator/Author:
Seitz, Tobias https://orcid.org/0009-0003-4039-3953 [RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen]

Karabulut, Aylin [RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen]

Hoffmann, Alexander https://orcid.org/0000-0002-9647-8839 [RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen]

Herres-Pawlis, Sonja https://orcid.org/0000-0002-4354-4353 [RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen]
Contributors:
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Title:
Experimental Data to the publication "The Golden Goal of Entatic State Model Design: Lowering the Internal Reorganization Energy Leads to Exponential Increase in Electron Transfer Rate"
Additional titles:
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Description:
(Abstract) Cyclic voltammetric data, UV/Vis spectroscopic data and DFT optimized structures of the complexes are deposited.
Keywords:
electron transfer
guanidine complexes
electron self-exchange
copper complexes
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Language:
English
Version:
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Subject areas:
Chemistry
Resource type:
Dataset
Data source:
(Instrument) The measurements were performed with a METROHM AUTOLAB PGSTAT 101 potentiostat using a three-electrode arrangement with a Pt disc working electrode (1 mm diameter), a Pt wire as counter electrode and an Ag/AgCl (in saturated ethanolic LiCl) reference electrode. The measurements were performed in MeCN and 100 mmol/L NBu4PF6 with a sample concentration of 1 mmol/L at room temperature. Ferrocene was added as an internal standard after the measurements of the sample and all potentials are referenced relative to the Fc/Fc+ potential. Cyclic voltammograms were measured with 200 mV s –1, 100 mV s –1, 50 mV s –1 and 20 mV s –1.
(Instrument) The stopped-flow measurements were performed with a HI-TECH Scientific SF-61SX2 device with a diode array detector. The optical light path for transmission of the quartz glass cuvette was 10 mm. The mixing time is given by HI-TECH to amount to 2 ms. UV/Vis spectra in a wavelength range of 300 nm to 800 nm were detected with temporal resolutions of 0.75 to 7.5 s.
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NOVA - 2.1.5 (Build 7691)
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OriginPro - 2021b (Version 9.8.5.212)
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Software:
TgK Scientific program Kinetic Studio - 4.0.8.18533
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Software:
Gaussian 16 - Revision B.01
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Software:
Chemcraft - 1.8
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Software:
conformer-rotamer ensemble sampling tool (CREST) - 1
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Funding:
Deutsche Forschungsgemeinschaft - (Control of the entatic state by targeted optical excitation of the ligand sphere) 413524714
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Status:
Published
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iac_Radar_Produktion
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Archiving date:
2025-01-08
Archive size:
460.9 MB
Archive creator:
iac_Radar_Produktion
Archive checksum:
673c5e21c3bf5387e8db676e62fc7f67 (MD5)
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