Spectroscopy — Is iron unique in promoting electrical conductivity in MOFs?

6 measurement groups · 11 results

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

pressed pellet of Fe(1,2,3-triazolate)2 · Pellet

About 5 mg Fe(1,2,3-triazolate)2 in toluene, sealed in low-pressure/vac Suprasil tube in N2 glovebox; measured at 77 K, 0.20 mW, 9.423 GHz.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
broad Fe3+ signal g approximately 2.0	g approx 2.0	—	—	Text Approximate	4453 · Experimental results · Fig. 5
sharp Fe3+ signal g approximately 4.3	g approx 4.3	—	—	Text Approximate	4453 · Experimental results · Fig. 5

paper-level set of all MOF powders and pressed pellets · Powder

IR spectra obtained inside an N2-filled glovebox for desolvated MOF powders.

Temperature: room temperature
Atmosphere: N2 glovebox
Geometry: Bruker Alpha FT-IR with diamond Platinum ATR accessory
Context: pristine MOF powders
Measurement source: S1 · Infrared spectroscopy and elemental analysis · Fig. S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
IR spectra reported for all families	IR peak lists reported for individual samples and plotted by family	—	—	Text Qualitative	S16 · Figure S4 · Fig. S4

pressed pellet of Fe2Cl2(BTDD)(DMF)2 · Pellet

Fe-based MOFs transferred under air-free conditions; spectra recorded at 80 K, with Fe triazolate also measured at 298 K.

Temperature: 80
Atmosphere: air-free; N2 handling
Geometry: solid samples in Apiezon M grease inside nylon sample holder; 57Co source in Rh matrix
Context: Fe-based pristine MOF powder
Measurement source: S5 · 57Fe Moessbauer spectroscopy measurements · Fig. 4; Fig. S28-S30

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Moessbauer isomer shift at 80 K	1.099 mm/s	—	—	Text Exact Reported	4452-4453 · Experimental results · Fig. 4
Moessbauer quadrupole splitting at 80 K	1.923 mm/s	—	—	Text Exact Reported	4452-4453 · Experimental results · Fig. 4

pressed pellet of Fe2(DOBDC)(DMF)2 · Pellet

Fe-based MOFs transferred under air-free conditions; spectra recorded at 80 K, with Fe triazolate also measured at 298 K.

Temperature: 80
Atmosphere: air-free; N2 handling
Geometry: solid samples in Apiezon M grease inside nylon sample holder; 57Co source in Rh matrix
Context: Fe-based pristine MOF powder
Measurement source: S5 · 57Fe Moessbauer spectroscopy measurements · Fig. 4; Fig. S28-S30

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Moessbauer isomer shift at 80 K	1.318 mm/s	—	—	Text Exact Reported	4452-4453 · Experimental results · Fig. 4
Moessbauer quadrupole splitting at 80 K	2.749 mm/s	—	—	Text Exact Reported	4452-4453 · Experimental results · Fig. 4

pressed pellet of Fe2(DSBDC)(DMF)2 · Pellet

Fe-based MOFs transferred under air-free conditions; spectra recorded at 80 K, with Fe triazolate also measured at 298 K.

Temperature: 80
Atmosphere: air-free; N2 handling
Geometry: solid samples in Apiezon M grease inside nylon sample holder; 57Co source in Rh matrix
Context: Fe-based pristine MOF powder
Measurement source: S5 · 57Fe Moessbauer spectroscopy measurements · Fig. 4; Fig. S28-S30

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Moessbauer isomer shift at 80 K	1.172 mm/s	—	—	Text Exact Reported	4452-4453 · Experimental results · Fig. 4
Moessbauer quadrupole splitting at 80 K	3.218 mm/s	—	—	Text Exact Reported	4452-4453 · Experimental results · Fig. 4

pressed pellet of Fe(1,2,3-triazolate)2 · Pellet

Fe-based MOFs transferred under air-free conditions; spectra recorded at 80 K, with Fe triazolate also measured at 298 K.

Temperature: 298, 80
Atmosphere: air-free; N2 handling
Geometry: solid samples in Apiezon M grease inside nylon sample holder; 57Co source in Rh matrix
Context: Fe-based pristine MOF powder
Measurement source: S5 · 57Fe Moessbauer spectroscopy measurements · Fig. 4; Fig. S28-S30

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Moessbauer isomer shift at 298 K	0.336 mm/s	—	—	Text Exact Reported	4452-4453 · Experimental results · Fig. 4
Moessbauer isomer shift at 80 K	0.384 mm/s	—	—	Text Exact Reported	4452-4453 · Experimental results · Fig. 4