Spectroscopy — Redox-Active 1D Coordination Polymers of Iron-Sulfur Clusters

7 measurement groups · 11 results

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

Compound 1 as-synthesized black powder · Powder

As-synthesized compound 1 at 80 K

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Mossbauer isomer shift of as-synthesized 1 at 80 K	delta = 0.4345(7) mm/s	—	0.0007 mm/s	SI Table Exact Reported	S43 · Mossbauer Spectroscopy · Table S6
Mossbauer quadrupole splitting of as-synthesized 1 at 80 K	Delta_EQ = 0.714(1) mm/s	—	0.001 mm/s	SI Table Exact Reported	S43 · Mossbauer Spectroscopy · Table S6

Compound 2 as-synthesized black powder · Powder

As-synthesized compound 2 at 80 K

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Mossbauer isomer shift of as-synthesized 2 site 1 at 80 K	delta = 0.4339(9) mm/s	—	0.0009 mm/s	SI Table Exact Reported	S43 · Mossbauer Spectroscopy · Table S6
Mossbauer isomer shift of as-synthesized 2 site 2 at 80 K	delta = 0.447(1) mm/s	—	0.001 mm/s	SI Table Exact Reported	S43 · Mossbauer Spectroscopy · Table S6

Compound 2 reductively doped solid · Powder

Reductively doped compound 2 at 80 K

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Additional reduced-species Mossbauer site in reduced 2	site 3 delta = 0.561(8) mm/s	—	0.008 mm/s	SI Table Exact Reported	S43 · Mossbauer Spectroscopy · Table S6

Compound 1 as-synthesized black powder · Powder

Solid compound 1 ground with MgSO4 for diffuse reflectance

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Main UV-visible band of 1	broad band near 560 nm	—	—	Text Approximate	3943 · Electronic Properties · Figure 5
UV-visible shoulder of 1	shoulder near 820 nm	—	—	Text Approximate	3943 · Electronic Properties · Figure 5

Compound 2 as-synthesized black powder · Powder

Solid compound 2 diffuse reflectance and DMF solution absorbance

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Main UV-visible band of 2	broad band near 560 nm	—	—	Text Approximate	3943 · Electronic Properties · Figure 5
UV-visible shoulder of 2	shoulder near 820 nm	—	—	Text Approximate	3943 · Electronic Properties · Figure 5

Compound 1 as-synthesized black powder · Powder

XPS composition of compound 1 powder

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
XPS Fe:S ratio for 1	Fe:S = 1:1.96	—	—	Text Exact Reported	3941 · Synthesis and Composition

Compound 2 as-synthesized black powder · Powder

XPS composition of compound 2 powder

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
XPS Fe:S ratio for 2	Fe:S = 1:1.95	—	—	Text Exact Reported	3941 · Synthesis and Composition