Spectroscopy — Electrically Conducting Redox-Complementary Dual-Ligand 2D Graphitic MOF with Orthogonal Charge Transport Pathways

4 measurement groups · 21 results

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

CDL-MOF1 microcrystalline black powder · Powder

Dried black powder dissolved in DMSO-d6 with a drop of CF3CO2D; Bruker 500 MHz NMR spectrometer.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
HHTP:HHTQ ligand molar ratio in CDL-MOF1Marked as a best value within this paper	1:1 molar ratio	—	—	Text Exact Reported	p004 / SI p.S3 · Material Synthesis and Characterization · Figure 3a
Digested CDL-MOF1 HHTP 1H NMR shift	7.63 ppm (s, 6Ha of HHTP)	—	—	Text Exact Reported	p004 / SI p.S3 · Material Synthesis and Characterization · Figure 3a
Digested CDL-MOF1 HHTQ Hb 1H NMR shift	7.80 ppm (s, 3Hb of HHTQ)	—	—	Text Exact Reported	p004 / SI p.S3 · Material Synthesis and Characterization · Figure 3a
Digested CDL-MOF1 HHTQ Hc 1H NMR shift	7.05 ppm (s, 3Hc of HHTQ)	—	—	Text Exact Reported	p004 / SI p.S3 · Material Synthesis and Characterization · Figure 3a

CDL-MOF1 microcrystalline black powder · Powder

FT-IR spectra recorded on Shimadzu IR Affinity-1S spectrometer for CDL-MOF1 and parent MOFs.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
HHTQ C-N stretching signal	1316 cm-1	—	—	Text Rounded Reported	p004 / article p.4 · Results and Discussion · Figure S2
HHTQ C=N stretching signal	1650 cm-1	—	—	Text Rounded Reported	p004 / article p.4 · Results and Discussion · Figure S2
Cu(II)-semiquinone characteristic band	1434 cm-1	—	—	Text Rounded Reported	p004 / article p.4 · Results and Discussion · Figure S2

CDL-MOF1 microcrystalline black powder · Powder

Shimadzu UV-2600 with ISR-2600 Plus integrating sphere, 300-1400 nm; direct optical band gaps from Tauc plots.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CDL-MOF1 direct optical band gapMarked as a best value within this paper	Eopt = 1.1 eV	—	—	Figure Axis Exact Reported	p005 / article p.5 · Results and Discussion · Figure 4b
CDL-MOF1 Vis-NIR diffuse-reflectance peak centre	850 nm	—	—	Text Rounded Reported	p004-p005 / article pp.4-5 · Results and Discussion · Figure 4a
Cu3(HHTP)2 direct optical band gap	Eopt = 1.2 eV	—	—	Figure Axis Exact Reported	p005 / article p.5 · Results and Discussion · Figure 4b
Cu3(HHTP)2 Vis-NIR diffuse-reflectance peak centre	780 nm	—	—	Text Rounded Reported	p004-p005 / article pp.4-5 · Results and Discussion · Figure 4a
Cu3(HHTQ)2 direct optical band gap	Eopt = 1.4 eV	—	—	Text Exact Reported	p005 / article p.5 · Results and Discussion · Figure 4b
Cu3(HHTQ)2 Vis-NIR diffuse-reflectance peak centre	830 nm	—	—	Text Rounded Reported	p005 / article p.5 · Results and Discussion · Figure 4a

CDL-MOF1 microcrystalline black powder · Powder

Survey XPS and high-resolution Cu-2p, O-1s, and N-1s deconvolution.

Context: pristine target framework powder
Measurement source: p004 / article p.4 · Results and Discussion · Figure 3b-d; Figure S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-2p1/2 higher binding-energy component	954.5 eV	—	—	Text Exact Reported	p004 / article p.4 · Results and Discussion · Figure 3b
Cu-2p1/2 lower binding-energy component	952.8 eV	—	—	Text Exact Reported	p004 / article p.4 · Results and Discussion · Figure 3b
Cu-2p3/2 higher binding-energy component	934.2 eV	—	—	Text Exact Reported	p004 / article p.4 · Results and Discussion · Figure 3b
Cu-2p3/2 lower binding-energy component	932.5 eV	—	—	Text Exact Reported	p004 / article p.4 · Results and Discussion · Figure 3b
N-1s N-C=N binding energy	400.1 eV	—	—	Text Exact Reported	p004 / article p.4 · Results and Discussion · Figure 3d
N-1s C=N-C binding energy	398.2 eV	—	—	Text Exact Reported	p004 / article p.4 · Results and Discussion · Figure 3d
O-1s C-O binding energy	531.0 eV	—	—	Text Exact Reported	p004 / article p.4 · Results and Discussion · Figure 3c
O-1s Cu-O binding energy	532.8 eV	—	—	Text Exact Reported	p004 / article p.4 · Results and Discussion · Figure 3c