Spectroscopy — A semiconducting layered metal-organic framework magnet

5 measurement groups · 9 results

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

as-synthesised K3Fe2[PcFe-O8] dark black powder · Powder

FTIR spectra compared PcFe-OH8 and K3Fe2[PcFe-O8], 4000-400 cm-1 scan range.

Context: pristine target MOF vs monomer precursor
Measurement source: p002 · Synthesis and structural analysis · Supplementary Figure 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
new O-Fe-O stretches	new peaks centred at 534 and 468 cm-1	—	—	Text Rounded Reported	p002 · Synthesis and structural analysis · Supplementary Figure 2
O-H stretch disappearance	O-H stretching at ~3300 cm-1 disappeared/reduced in K3Fe2[PcFe-O8]	—	~	Text Approximate	p002 · Synthesis and structural analysis · Supplementary Figure 2

as-synthesised K3Fe2[PcFe-O8] dark black powder · Powder

Mossbauer spectra collected at 300 K and 25 K; fitted with Moessfit.

Temperature: 25, 300
Geometry: powder sample
Context: pristine target MOF powder
Measurement source: p006-p007 · Discussion · Figure 4c-d; Supplementary Table 5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
25 K fitted Fe-site areas	Fe site A 56(1)%, Fe site B 33(1)%, Fe site C 11(1)%	—	(1)	Caption Exact Reported	p006 · Figure 4 · Figure 4d
25 K Fe site A isomer shift	0.35(1) mm s-1; DeltaEQ = 0.94(1) mm s-1	—	(1)	Text Exact Reported	p007 · Discussion · Figure 4d
300 K Fe site 1 isomer shift	0.378(4) mm s-1	—	(4)	SI Table Exact Reported	p039 · Supplementary Table 5 · Supplementary Table 5
300 K Fe site 2 hyperfine field	30(5) T with fluctuation frequency 150(50) MHz	—	(5)	SI Table Exact Reported	p039 · Supplementary Table 5 · Supplementary Table 5

as-synthesised K3Fe2[PcFe-O8] dark black powder · Powder

Powders dispersed in DMF compared with PcFe-OH8 monomer.

Context: pristine target MOF vs monomer
Measurement source: p003 · Synthesis and structural analysis · Supplementary Figure 12

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Soret-band position	~390 nm	—	~	Text Approximate	p003 · Synthesis and structural analysis · Supplementary Figure 12

as-synthesised K3Fe2[PcFe-O8] dark black powder · Powder

Synchrotron powder XAS at room temperature in transmission mode compared with Fe foil, FeO, Fe2O3 and PcFe-OH8.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Fe-N(O) distanceMarked as a best value within this paper	~1.57 A	—	~	Text Approximate	p003 · Synthesis and structural analysis · Figure 1e

as-synthesised K3Fe2[PcFe-O8] dark black powder · Powder

Survey, K 2p, Fe 2p and O 1s core-level spectra using Al K-alpha source.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Fe2+/Fe3+ ratioMarked as a best value within this paper	~2/1 Fe2+/Fe3+	—	~	Text Approximate	p002 · Synthesis and structural analysis · Supplementary Figure 5