Spectroscopy — Superior Charge Transport in Ni-Diamine Conductive MOFs

6 measurement groups · 23 results

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

Air-exposed Cu3(HITT)2 · Unknown

High-resolution Cu 2p XPS after ambient air exposure from pristine to 83 days.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu2+/Cu+ ratio after 14 days	1.64	—	—	Figure Axis Rounded Reported	20505 · Figure 5b · Figure 5b
Cu2+/Cu+ ratio after 1 day	0.76	—	—	Figure Axis Rounded Reported	20505 · Figure 5b · Figure 5b
Cu2+/Cu+ ratio after 30 days	4.31	—	—	Figure Axis Rounded Reported	20505 · Figure 5b · Figure 5b
Cu2+/Cu+ ratio after 45 days	7.26	—	—	Figure Axis Rounded Reported	20505 · Figure 5b · Figure 5b
Cu2+/Cu+ ratio after 4 days	1.32	—	—	Figure Axis Rounded Reported	20505 · Figure 5b · Figure 5b
Cu2+/Cu+ ratio after 73 days	7.77	—	—	Figure Axis Rounded Reported	20505 · Figure 5b · Figure 5b
Cu2+/Cu+ ratio after 83 daysMarked as a best value within this paper	8.25	—	—	Figure Axis Rounded Reported	20505 · Figure 5b · Figure 5b
pristine Cu2+/Cu+ ratio	0.66	—	—	Figure Axis Rounded Reported	20505 · Figure 5b · Figure 5b

Air-exposed Cu3(HITT)2 · Unknown

Diffuse reflectance UV-vis-NIR spectra for air-exposed Cu3(HITT)2 over 45 days; optical gaps extracted from Tauc plots.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
IVCT band centre	730 nm	—	—	Text Rounded Reported	20504 · Results and discussion · Figure 3b
optical gap after 45 days air exposureMarked as a best value within this paper	1.29 eV	—	—	Text Rounded Reported	20504 · Results and discussion · Figure 5d; Figure S34
optical gap pristine	1.03 eV	—	—	Text Rounded Reported	20504 · Results and discussion · Figure 5d; Figure S34

Pristine Cu3(HITT)2 black powder · Powder

Optical spectra collected under N2 atmosphere.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
mixed-valence class	Class II mixed-valence	—	—	Text Qualitative	20504 · Results and discussion · Figure 3b
ligand-centred transition	around 400 nm	—	—	Text Approximate	20503 · Results and discussion · Figure 3b

Pristine Ni3(HITT)2 black powder · Powder

Optical spectra collected under N2 atmosphere.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ligand-centred transition	around 400 nm	—	—	Text Approximate	20503 · Results and discussion · Figure 3b
NIR absorption relative intensity	significantly stronger than Cu3(HITT)2	—	—	Text Qualitative	20504 · Results and discussion · Figure 3b

Pristine Cu3(HITT)2 black powder · Powder

PHI Versaprobe II with monochromatic Al anode; Cu 2p3/2 deconvolution.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu+ per formula unit	~1.8 Cu+	—	—	Text Approximate	20503 · Results and discussion · Figures S26-S27
Cu2+ per formula unit	~1.2 Cu2+	—	—	Text Approximate	20503 · Results and discussion · Figures S26-S27
Cu2+/Cu+ ratioMarked as a best value within this paper	0.66	—	—	Text Rounded Reported	20503 · Results and discussion · Figures S26-S27
Cu2+/Cu+ ratio from Cu2+ salt syntheses	averaged ratio 0.62	—	—	Caption Rounded Reported	33 · Figure captions · Figure S27
Cu+ Cu 2p binding energy	932.5 eV	—	—	Text Rounded Reported	20503 · Results and discussion · Figures S25-S27
Cu2+ Cu 2p binding energy	934.1 eV	—	—	Text Rounded Reported	20503 · Results and discussion · Figures S25-S27

Pristine Ni3(HITT)2 black powder · Powder

PHI Versaprobe II with monochromatic Al anode; high-resolution Ni2p/Cu2p/C1s at 0.1 eV.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni 2p3/2 binding energy	856 eV	—	—	Text Rounded Reported	20503 · Results and discussion · Figures S25-S27
Ni oxidation state	only Ni2+	—	—	Text Qualitative	20503 · Results and discussion · Figures S25-S27