Spectroscopy — Macrocycle-Based Metal-Organic Frameworks with NO2-Driven On/Off Switch of Conductivity

5 measurement groups · 12 results

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

As-grown red MOF A single crystals/powder · Single Crystal

KBr-pellet FTIR spectra of A, A-NO2, A-100, and A-100-NO2; 4000-400 cm-1, 2 cm-1 resolution at room temperature.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
N-O stretching/broadening band in NO2-loaded MOFs	1355 cm^-1	—	—	Text Rounded Reported	main p.5 · Results and Discussion · Figure S21
N-O stretching band in dry NO2-loaded MOFs	1713 cm^-1	—	—	Text Rounded Reported	main p.5 · Results and Discussion · Figure S20/S21

MOF A-NO2 yellow NO2-loaded crystal · Single Crystal

Raman spectra of MOFs A, A-100, A-NO2, and A-100-NO2 at 298 K and 1.0 bar by Cora 5X00 Raman spectrometer.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Raman NO2 band	1055 cm^-1	—	—	Text Rounded Reported	main p.5 · Results and Discussion · Figure 6b
Raman NO2 band	1344 cm^-1	—	—	Text Rounded Reported	main p.5 · Results and Discussion · Figure 6b
Raman NO2 band	741 cm^-1	—	—	Text Rounded Reported	main p.5 · Results and Discussion · Figure 6b

As-grown red MOF A single crystals/powder · Single Crystal

TGA curves for A, A-100, A-NO2, and A-100-NO2 from 25 to 800 deg C under N2 at 15 deg C min-1.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
NO2 adsorption capacity from TGA for A-NO2	about 4.6 mmol/g	4.6 mol/kg	about	Text Approximate	main p.5 · Results and Discussion · Figure 6d

As-grown red MOF A single crystals/powder · Single Crystal

UV-vis absorption spectra at 200-800 nm for A, A-100, A-NO2, and A-100-NO2; UV-vis-NIR diffuse reflectance over 200-2500 nm for bandgaps.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
MOF A optical bandgap	3.73 eV	—	—	Text Rounded Reported	SI p.28 · Figure S23 discussion · Figure S23
MOF A-NO2 optical bandgapMarked as a best value within this paper	3.58 eV	—	—	Text Rounded Reported	SI p.28 · Figure S23 discussion · Figure S23
MOF A-100 UV-vis absorption maximum	about 547 nm	—	about	Text Approximate	main p.5 · Results and Discussion · Figure 6c
MOF A UV-vis absorption maximum	about 524 nm	—	about	Text Approximate	main p.5 · Results and Discussion · Figure 6c
NO2-loaded MOF absorption maximum	280 nm	—	—	Text Rounded Reported	main p.5 · Results and Discussion · Figure 6c

As-grown red MOF A single crystals/powder · Single Crystal

SEM mapping/EDS/XPS used to confirm elemental composition of MOF A and XPS of A-NO2.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Elements detected in MOF A by XPS/EDS	Co, C and O; Co was the only metal in MOF A	—	—	Qualitative Qualitative	SI p.7 · Supporting text · Figures S5-S7