Spectroscopy — Probing the electronic and ionic transport in topologically distinct redox-active metal-organic frameworks in aqueous electrolytes

4 measurement groups · 14 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

All powder materials: MOF-808, Mn-MOF-808, UiO-66, Mn-UiO-66, CAU-24 and Mn-CAU-24 · Powder

FTIR spectra of all six powders; Raman spectra with 532 nm laser.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CAU-24 FTIR O-C-O symmetric vibration peak	1413 cm-1	—	—	Text Exact Reported	S-7 · Supporting Information · Figure S6
MOF-808 FTIR O-C-O symmetric vibration peak	1381 cm-1	—	—	Text Exact Reported	S-7 · Supporting Information · Figure S6
UiO-66 FTIR O-C-O symmetric vibration peak	1400 cm-1	—	—	Text Exact Reported	S-7 · Supporting Information · Figure S6
Common Raman peak around 580 cm-1	around 580 cm-1	—	around	Text Approximate	S-8 · Supporting Information · Figure S7

All powder materials: MOF-808, Mn-MOF-808, UiO-66, Mn-UiO-66, CAU-24 and Mn-CAU-24 · Powder

Mn-decorated MOF powders digested with sulfuric acid and hydrogen peroxide, then diluted in 3 wt% HNO3.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Mn loading in Mn-CAU-24	1.12 Mn on each hexa-zirconium node	—	—	Text Exact Reported	9859 · Results and discussion - Materials characterization
Mn loading in Mn-MOF-808Marked as a best value within this paper	1.66 Mn on each hexa-zirconium node	—	—	Text Exact Reported	9859 · Results and discussion - Materials characterization
Mn loading in Mn-UiO-66	0.91 Mn on each hexa-zirconium node	—	—	Text Exact Reported	9859 · Results and discussion - Materials characterization
Mn concentration in Mn-CAU-24 crystal structure	472 mol m-3	—	—	SI Table Exact Reported	S-18 · Supporting Information · Table S3
Mn concentration in Mn-MOF-808 crystal structureMarked as a best value within this paper	974 mol m-3	—	—	SI Table Exact Reported	S-18 · Supporting Information · Table S3
Mn concentration in Mn-UiO-66 crystal structure	677 mol m-3	—	—	SI Table Exact Reported	S-18 · Supporting Information · Table S3

CAU-24 powder · Powder

Digested CAU-24 samples with and without HCl/DMF heating step compared to assess coordinated benzoate removal.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Coordinated benzoate before HCl/DMF process	3.04 benzoates per hexa-zirconium node without HCl/DMF process	—	—	Text Exact Reported	S-1 · Supporting Information · Figure S1 discussion
Coordinated formate after HCl/DMF activation	0.38 formate per node	—	—	Text Exact Reported	S-1 · Supporting Information · Figure S1 discussion

All powder materials: MOF-808, Mn-MOF-808, UiO-66, Mn-UiO-66, CAU-24 and Mn-CAU-24 · Powder

MOF-808 and CAU-24 compared before and after Mn installation; C 1s referenced to 284.8 eV.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Zr 3d shift after Mn installation on CAU-24	positive shift of 0.3 eV	—	around	Text Approximate	9860 · Results and discussion - Materials characterization · Figure S9
Zr 3d shift after Mn installation on MOF-808	positive shift of 0.3 eV	—	around	Text Approximate	9860 · Results and discussion - Materials characterization · Figure S9