Spectroscopy — Framework Dimensional Control Boosting Charge Storage in Conjugated Coordination Polymers

4 measurement groups · 43 results

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

ex situ FTIR, O 1s/Cu 2p/P 2p XPS, EPR, ex situ PXRD during cycling

Infrared spectroscopy X-ray photoelectron spectroscopy Electron paramagnetic resonance X-ray diffraction and scattering

1D-CuTABQ composite cathode electrode · Electrode

Electrodes cycled to selected potentials at 0.1 A g^-1, then disassembled in Ar-filled glove box

Temperature: room temperature
Atmosphere: ex situ after Ar glove-box disassembly
Geometry: cycled composite cathode
Context: application electrode
Measurement source: 8 · 2.3 Charge-Storage Mechanism · Figures S26-S32

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
anion-storage completeness	storage of anions relatively less and uncompleted than 2D-CuTABQ	—	—	Text Qualitative	8 · 2.3 Charge-Storage Mechanism · Figure S30

FTIR, XPS, EPR, DRUV-vis

Infrared spectroscopy X-ray photoelectron spectroscopy UV-visible and optical absorption spectroscopy Electron paramagnetic resonance

as-synthesised 1D-CuTABQ powder · Powder

FTIR 400-4000 cm^-1; Al Kalpha XPS; X-band EPR at room temperature; diffuse-reflectance UV-vis

Temperature: room temperature for EPR
Geometry: powder
Context: pristine
Measurement source: 2-3 · Materials and physical measurements

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu2+ fraction	approx. 5/6	—	—	Text Approximate	4 · 2.1 Synthesis and Characterization · Figure 3c
Cu:TABQ molar ratio	1:1	—	—	Text Exact Reported	2 · 2.1 Synthesis and Characterization · Table S1 cited
found elemental analysis C	29.73%	—	—	SI Table Exact Reported	6 · Table S1 · Table S1
found elemental analysis Cu	25.43%	—	—	SI Table Exact Reported	6 · Table S1 · Table S1
found elemental analysis H	2.44%	—	—	SI Table Exact Reported	6 · Table S1 · Table S1
found elemental analysis N	21.92%	—	—	SI Table Exact Reported	6 · Table S1 · Table S1
found elemental analysis O	20.42%	—	—	SI Table Exact Reported	6 · Table S1 · Table S1
found elemental analysis S	0.37%	—	—	SI Table Exact Reported	6 · Table S1 · Table S1
EPR g-factor	g = 2.103	—	—	Text Exact Reported	4 · 2.1 Synthesis and Characterization · Figure 3d
elemental-analysis formula	Cu(C6H4N4O2)(DMSO)0.025(H2O)	—	—	SI Table Exact Reported	6 · Table S1 · Table S1
FTIR C=O stretch	1581 cm-1	—	—	Text Exact Reported	3 · 2.1 Synthesis and Characterization · Figure 3b
N 1s C=N component	~398.3 eV	—	—	Caption Approximate	8 · Figure captions · Figure S7
N 1s C-N component	~400.1 eV	—	—	Caption Approximate	8 · Figure captions · Figure S7
broad NIR absorption onset	starting from 860 nm	—	—	Text Approximate	5 · 2.1 Synthesis and Characterization · broad absorption starting from 860 nm
optical band gap	0.80 eV	—	—	Text Rounded Reported	5 · 2.1 Synthesis and Characterization · Figure S10
DRUV-vis absorption peak	around 418 nm	—	—	Text Approximate	5 · 2.1 Synthesis and Characterization · Figure S10
FTIR C-N bond peak	1400 cm-1 for both materials	—	—	Text Exact Reported	3 · 2.1 Synthesis and Characterization · Figure 3b
FTIR C=N bond peak	1485 cm-1 for both materials	—	—	Text Exact Reported	3 · 2.1 Synthesis and Characterization · Figure 3b