Spectroscopy — A stable lanthanum hydroxamate metal-organic framework with radical character and electrical conductivity

2 measurement groups · 14 results

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

quantitative solid-state EPR, Bruker EMXmicro X-band

Electron paramagnetic resonance

La-ONDI-DMF pressed pellet · Pellet

Room-temperature X-band EPR; spin numbers determined by double integration and comparison with ultramarine standard. DMF sample is representative sample key; DMA and Catechol values are also recorded.

Temperature: room temperature
Geometry: solid-state sample in cylindrical cavity
Context: pure radical-doped La-ONDI framework
Measurement source: 6 · Experimental - EPR measurements · Fig. S12; Table S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
La-ONDI-DMA EPR g value	g = 2.00339	—	—	Text Exact Reported	3 · Optical properties and radical character · Fig. S12a
La-ONDI-Catechol estimated NDI radical-anion percentageMarked as a best value within this paper	5.69%	—	—	SI Table Exact Reported	4 · Table S3 · Table S3
La-ONDI-DMA estimated NDI radical-anion percentage	0.11%	—	—	SI Table Exact Reported	4 · Table S3 · Table S3
La-ONDI-DMF estimated NDI radical-anion percentage	2.79%	—	—	SI Table Exact Reported	4 · Table S3 · Table S3
La-ONDI-Catechol detected spin numberMarked as a best value within this paper	5.86 x 10^16 /mg	—	—	SI Table Exact Reported	4 · Table S3 · Table S3
La-ONDI-DMA detected spin number	1.19 x 10^15 /mg	—	—	SI Table Exact Reported	4 · Table S3 · Table S3
La-ONDI-DMF detected spin number	2.87 x 10^16 /mg	—	—	SI Table Exact Reported	4 · Table S3 · Table S3

solid-state UV-vis-NIR absorption spectroscopy

UV-visible and optical absorption spectroscopy

La-ONDI-DMF pressed pellet · Pellet

UV-vis absorption spectra collected on Jasco V-670 UV-Vis-NIR spectrometer; DMF sample is representative sample key and all La-ONDI variants are recorded in results.

Geometry: solid-state powder/sample
Context: pure radical-doped La-ONDI framework
Measurement source: 3-4 · Optical properties and radical character · Fig. 3a; Fig. S17

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
La-ONDI intramolecular charge-transfer absorption band	460 nm	—	—	Text Rounded Reported	3 · Optical properties and radical character · Fig. 3a
La-ONDI-DMF broad NIR absorption band	1015 nm (about 1.2 eV)	1.2 eV	—	Text Rounded Reported	4 · Optical properties and radical character · Fig. 3a
La-ONDI NDI radical-anion absorption band	610 nm	—	—	Text Rounded Reported	3 · Optical properties and radical character · Fig. 3a
La-ONDI absorption band assigned to pi-pi*	340 nm	—	—	Text Rounded Reported	3 · Optical properties and radical character · Fig. 3a
La-ONDI-Catechol direct-semiconductor Tauc gapMarked as a best value within this paper	E_g = 0.83 eV	—	—	Visual Estimate Approximate	13 · Fig. S17 · Fig. S17
La-ONDI-DMA direct-semiconductor Tauc gap	E_g = 1.72 eV	—	—	Visual Estimate Approximate	13 · Fig. S17 · Fig. S17
La-ONDI-DMF direct-semiconductor Tauc gap	E_g = 1.73 eV	—	—	Visual Estimate Approximate	13 · Fig. S17 · Fig. S17