Spectroscopy — A New Electrically Conducting Metal–Organic Framework Featuring U-Shaped cis-Dipyridyl Tetrathiafulvalene Ligands

5 measurement groups · 15 results

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

I2-treated sine-MOF powder · Powder

Diffuse-reflectance spectra measured from 200-1400 nm using an integrating sphere; optical bandgap determined from Tauc plot.

Geometry: powder diffuse reflectance
Context: I2-treated framework compared with pristine control
Measurement source: 3 · Optical and Electrochemical Properties of sine-MOF · Figure 4B,C

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
bandgap narrowing on I2 treatment	~0.6-0.7 eV narrower bandgap for I2-doped sine-MOF	—	range	Text Range	3 · Optical and Electrochemical Properties of sine-MOF · Figure 4C
I2-treated sine-MOF optical bandgapMarked as a best value within this paper	Eg = 1.2 eV	—	—	Text Rounded Reported	3 · Optical and Electrochemical Properties of sine-MOF · Figure 4B,C

pristine sine-MOF evacuated powder · Powder

Diffuse-reflectance spectra measured from 200-1400 nm using an integrating sphere; optical bandgap determined from Tauc plot.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
pristine sine-MOF broad DRS band centre	broad band centered on 480 nm	—	—	Text Rounded Reported	3 · Optical and Electrochemical Properties of sine-MOF · Figure 4B
pristine sine-MOF optical bandgap	Eg = 1.8 eV	—	—	Text Rounded Reported	3 · Optical and Electrochemical Properties of sine-MOF · Figure 4B,C

I2-treated sine-MOF powder · Powder

Solid-state EPR recorded at room temperature on Bruker EMX EPR X-band spectrometer.

Temperature: room temperature
Geometry: solid-state powder
Context: I2-treated framework compared with pristine control
Measurement source: 4 · Optical and Electrochemical Properties of sine-MOF · Figure 6

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
I2-treated EPR g value	g approx 2.006	—	approx	Text Approximate	4 · Optical and Electrochemical Properties of sine-MOF · Figure 6
I2-treated DPTTF radical-cation populationMarked as a best value within this paper	6.1% DPTTF*+ population	—	—	Text Rounded Reported	4 · Optical and Electrochemical Properties of sine-MOF · Figure 6
I2-treated radical population by EPR mass basis	2.6 x 10^16 spins/mg	—	—	Text Rounded Reported	4 · Optical and Electrochemical Properties of sine-MOF · Figure 6
I2-treated radical population by molar basis	3.6 x 10^22 spins/mol	—	—	Text Rounded Reported	4 · Optical and Electrochemical Properties of sine-MOF · Figure 6
I2-treated empirical formula from elemental analysis	Zn2C55H50O14S4N2I1.5	—	—	Text Exact Reported	4 · Optical and Electrochemical Properties of sine-MOF

pristine sine-MOF evacuated powder · Powder

Solid-state EPR recorded at room temperature on Bruker EMX EPR X-band spectrometer.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
pristine DPTTF radical-cation population	0.01% DPTTF*+ population	—	—	Text Rounded Reported	4 · Optical and Electrochemical Properties of sine-MOF · Figure 6
pristine EPR signal	weak EPR signal	—	—	Text Qualitative	4 · Optical and Electrochemical Properties of sine-MOF · Figure 6
pristine radical population by EPR mass basis	6.8 x 10^13 spins/mg	—	—	Text Rounded Reported	4 · Optical and Electrochemical Properties of sine-MOF · Figure 6
pristine radical population by molar basis	7.6 x 10^19 spins/mol	—	—	Text Rounded Reported	4 · Optical and Electrochemical Properties of sine-MOF · Figure 6

Z-DPTTF ligand in DMF · Model

Z-DPTTF ligand measured in DMF on Shimadzu UV-2600 spectrophotometer.

Geometry: solution in DMF
Context: molecular ligand model comparison
Measurement source: 4 · Optical and Electrochemical Properties of sine-MOF · Figure 4A

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Z-DPTTF optical bandgap	2.3 eV	—	—	Text Rounded Reported	3 · Optical and Electrochemical Properties of sine-MOF · Figure 4A
Z-DPTTF UV-vis absorption maximum	about 420 nm inferred from 480 nm MOF band being ca. 60 nm red-shifted from ligand lambda_max	—	inferred from reported shift	Calculated From Reported Approximate	3 · Optical and Electrochemical Properties of sine-MOF · Figure 4A,B