Spectroscopy — Porous Molecular Conductor: Electrochemical Fabrication of Through-Space Conduction Pathways among Linear Coordination Polymers

4 measurement groups · 9 results

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

ESR spectroscopy

Electron paramagnetic resonance

PMC-1 bulk powder/crystals · Powder

JEOL JES-FA100; measured at room temperature.

Temperature: 298
Geometry: bulk solid
Context: PMC-1 radical verification
Measurement source: 6804 · Results/discussion · Figure S6

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ESR g valueMarked as a best value within this paper	g = 2.003	—	—	Text Exact Reported	6804 · Results/discussion · Figure S6

Solid-state IR spectroscopy in KBr pellets

Infrared spectroscopy

PMC-1 bulk powder/crystals · Powder

JASCO FT/IR 4200; samples dispersed in KBr pellets unless otherwise noted.

Geometry: KBr pellet
Context: PMC-1 and PMC-1h compared with NDI-py
Measurement source: S7 · Infrared (IR) spectra · Figure S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Nitrate IR stretching peakMarked as a best value within this paper	1383 cm-1	—	—	Caption Exact Reported	S7 · IR spectra · Figure S1

Solid-state spectroelectrochemistry in diffuse reflectance mode

PMC-1 bulk powder/crystals · Powder

CARY5000 UV/Vis/NIR; Harrick Omni Diff probe; 400-2000 nm; ITO working electrode, Pt counter, Ag quasi-reference; 0.1 M LiBF4 in CH3CN; potential scanned 0 to -0.9 V and back.

Atmosphere: oxygen-free Teflon cell
Geometry: ITO working electrode SEC cell
Context: PMC-1
Measurement source: 6804 · Results/discussion · Figure 3b, Figure S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
SEC reduction saturation potential	-0.9 V	—	—	Text Exact Reported	6804 · Results/discussion · Figure 3b

Solid-state UV-Vis-NIR absorption spectroscopy

UV-visible and optical absorption spectroscopy

PMC-1 bulk powder/crystals · Powder

Shimadzu UV-3100; KBr pellets also used in IR spectroscopy.

Geometry: KBr pellet
Context: PMC-1 compared with NDI-py; PMC-1h later compared by Figure S11
Measurement source: 6803-6804 · Results/discussion · Figure 2, Figure S11

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Mean charge of NDI in PMC-1Marked as a best value within this paper	-0.7 +/- 0.1	—	+/- 0.1	Text Rounded Reported	6803 · Results/discussion · Table S2
NDI.-/NDI0 charge-transfer band maximum	approximately 0.3 eV	—	approximately	Text Approximate	6804 · Results/discussion · Figure 2
NDI.-/NDI.- charge-transfer band	around 1 eV	—	around	Text Approximate	6804 · Results/discussion · Figure 2
*Neutral NDI pi-pi absorption threshold**	above 3.0 eV	—	above	Text Approximate	6803 · Results/discussion · Figure 2
NDI radical-anion intramolecular band	2.0 eV	—	around	Text Approximate	6803-6804 · Results/discussion · Figure 2
NDI radical-anion intramolecular band	2.7 eV	—	around	Text Approximate	6803-6804 · Results/discussion · Figure 2