Spectroscopy — Two-Dimensional Conjugated Metal–Organic Frameworks with a Ring-in-Ring Topology and High Electrical Conductance

6 measurement groups · 15 results

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

Co-DHHBTN powder · Powder

XAFS at metal K edges; XPS with Al Kalpha, pass energy 30 eV; EPR at 150 K, 9.08 GHz X-band.

Temperature: 150
Context: powder pristine
Measurement source: 5 · Analysis of the Electronic Structure · Figure 4; Figures S15,S28,S29

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Co-DHHBTN EPR g value	g = 2.09	—	—	Text Exact Reported	6 · Analysis of the Electronic Structure · Figure 4g; Figure S28b
Co 2p1/2 XPS peak	797.4 eV	—	—	Text Exact Reported	S14 · X-ray Photoelectron Spectroscopy · Figure S15d
Co 2p3/2 XPS peak	781.6 eV	—	—	Text Exact Reported	S14 · X-ray Photoelectron Spectroscopy · Figure S15d
Co-O R-space scattering path	approximately 1.6 A	—	—	Text Approximate	5 · Analysis of the Electronic Structure · Figure 4a

Co-DHHBTN thin film on fused silica/quartz · Thin Film

200-2500 nm spectra, Shimadzu SolidSpec-3700DUV, step size 0.5 nm, ambient conditions.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Optical band gap from Tauc plot	1.65 eV	—	—	Text Exact Reported	6 · Electronic Properties · Figure S27

Cu-DHHBTN powder · Powder

XAFS at metal K edges; XPS with Al Kalpha, pass energy 30 eV; EPR at 150 K, 9.08 GHz X-band.

Temperature: 150
Context: powder pristine
Measurement source: 5 · Analysis of the Electronic Structure · Figure 4; Figures S17,S28,S31

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-DHHBTN EPR g value	g = 2.12	—	—	Text Exact Reported	6 · Analysis of the Electronic Structure · Figure 4i; Figure S28d
Cu(II):Cu(I) ratioMarked as a best value within this paper	4:1	—	—	Text Exact Reported	5 · Analysis of the Electronic Structure · Figure 4f; Figure S17
Cu(I) 2p3/2 XPS peak	approximately 932.6 eV	—	—	Text Approximate	S15 · X-ray Photoelectron Spectroscopy · Figure S17d
Cu(II) 2p3/2 XPS peak	approximately 935.0 eV	—	—	Text Approximate	S15 · X-ray Photoelectron Spectroscopy · Figure S17d
Cu-O R-space scattering path	approximately 1.4 A	—	—	Text Approximate	5 · Analysis of the Electronic Structure · Figure 4c

Cu-DHHBTN thin film on fused silica/quartz · Thin Film

200-2500 nm spectra, Shimadzu SolidSpec-3700DUV, step size 0.5 nm, ambient conditions.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Near-IR absorption band	broad absorption band near 920 nm	—	—	Text Approximate	6 · Electronic Properties · Figure 5c
Optical band gap from Tauc plotMarked as a best value within this paper	1.29 eV	—	—	Text Exact Reported	6 · Electronic Properties · Figure S27

Ni-DHHBTN powder · Powder

XAFS at metal K edges; XPS with Al Kalpha, pass energy 30 eV; EPR at 150 K, 9.08 GHz X-band.

Temperature: 150
Context: powder pristine
Measurement source: 5 · Analysis of the Electronic Structure · Figure 4; Figures S16,S28,S30

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni-DHHBTN ligand-centred radical EPR g value	g = 1.99	—	—	Text Exact Reported	6 · Analysis of the Electronic Structure · Figure 4h; Figure S28c
Ni-O R-space scattering path	approximately 1.6 A	—	—	Text Approximate	5 · Analysis of the Electronic Structure · Figure 4b

Ni-DHHBTN thin film on fused silica/quartz · Thin Film

200-2500 nm spectra, Shimadzu SolidSpec-3700DUV, step size 0.5 nm, ambient conditions.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Optical band gap from Tauc plot	1.4 eV	—	—	Text Exact Reported	6 · Electronic Properties · Figure S27