Spectroscopy — Diverse π-π Stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal-organic frameworks

Measurement evidence

Spectroscopy

Diverse π-π Stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal-organic frameworks · Xie L.S., Alexandrov E.V., Skorupskii G. et al. · Chemical Science · 2019 · 8558-8565

6 measurement groups · 15 results

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

Room-temperature X-band electron paramagnetic resonance

As-synthesised bulk powder of compound 1 · Powder

MOF powders diluted 1 wt% with KBr and measured under nitrogen in septum-sealed quartz tubes.

Temperature
room temperature
Atmosphere
nitrogen
Geometry
Bruker EMX, ER 4199HS cavity, 9.37 GHz
Context
pristine framework powder
Measurement source
S6; S28 · Electron paramagnetic resonance spectroscopy · Fig. S15
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
EPR g value2.012Caption
Exact Reported
S28 · EPR spectra · Fig. S15

Room-temperature X-band electron paramagnetic resonance

As-synthesised bulk powder of compound 2 · Powder

MOF powders diluted 1 wt% with KBr and measured under nitrogen in septum-sealed quartz tubes.

Temperature
room temperature
Atmosphere
nitrogen
Geometry
Bruker EMX, ER 4199HS cavity, 9.37 GHz
Context
pristine framework powder
Measurement source
S6; S28 · Electron paramagnetic resonance spectroscopy · Fig. S15
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
EPR g value2.011Caption
Exact Reported
S28 · EPR spectra · Fig. S15

Room-temperature X-band electron paramagnetic resonance

As-synthesised bulk powder of compound 3 · Powder

MOF powders diluted 1 wt% with KBr and measured under nitrogen in septum-sealed quartz tubes.

Temperature
room temperature
Atmosphere
nitrogen
Geometry
Bruker EMX, ER 4199HS cavity, 9.37 GHz
Context
pristine framework powder
Measurement source
S6; S28 · Electron paramagnetic resonance spectroscopy · Fig. S15
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
EPR g value2.012Caption
Exact Reported
S28 · EPR spectra · Fig. S15

Diffuse-reflectance UV-vis-NIR spectroscopy and DRIFTS with Kubelka-Munk/Tauc analysis

As-synthesised bulk powder of compound 1 · Powder

Powders ground with KBr to 1 wt%; UV-vis-NIR 400-2275 nm, DRIFTS 4200-2000 cm-1; spectra normalised and Tauc fits applied.

Temperature
room temperature
Atmosphere
not specified for UV-vis-NIR/DRIFTS
Geometry
PIKE DiffusIR accessory
Context
pristine framework powder
Measurement source
S5-S6 · Diffuse reflectance UV-vis-NIR spectroscopy; DRIFTS · Fig. 7
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
NIR IVCT band centreapproximately 4000Text
Approximate
8563 · Diffuse reflectance spectroscopy · Fig. 7a
Optical band gap Eg from Tauc plot1.79Text
Rounded Reported
8563 · Diffuse reflectance spectroscopy · Fig. 7b
Higher-energy TTFTB radical-cation absorption bandapproximately 21000Text
Approximate
8562-8563 · Diffuse reflectance spectroscopy · Fig. 7a
TTFTB radical-cation absorption band range13500 to 14000Text
Range
8562-8563 · Diffuse reflectance spectroscopy · Fig. 7a

Diffuse-reflectance UV-vis-NIR spectroscopy and DRIFTS with Kubelka-Munk/Tauc analysis

As-synthesised bulk powder of compound 2 · Powder

Powders ground with KBr to 1 wt%; UV-vis-NIR 400-2275 nm, DRIFTS 4200-2000 cm-1; spectra normalised and Tauc fits applied.

Temperature
room temperature
Atmosphere
not specified for UV-vis-NIR/DRIFTS
Geometry
PIKE DiffusIR accessory
Context
pristine framework powder
Measurement source
S5-S6 · Diffuse reflectance UV-vis-NIR spectroscopy; DRIFTS · Fig. 7
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
NIR IVCT band centreapproximately 4000Text
Approximate
8563 · Diffuse reflectance spectroscopy · Fig. 7a
Optical band gap Eg from Tauc plot1.94Text
Rounded Reported
8563 · Diffuse reflectance spectroscopy · Fig. 7b
Higher-energy TTFTB radical-cation absorption bandapproximately 21000Text
Approximate
8562-8563 · Diffuse reflectance spectroscopy · Fig. 7a
TTFTB radical-cation absorption band range13500 to 14000Text
Range
8562-8563 · Diffuse reflectance spectroscopy · Fig. 7a

Diffuse-reflectance UV-vis-NIR spectroscopy and DRIFTS with Kubelka-Munk/Tauc analysis

As-synthesised bulk powder of compound 3 · Powder

Powders ground with KBr to 1 wt%; UV-vis-NIR 400-2275 nm, DRIFTS 4200-2000 cm-1; spectra normalised and Tauc fits applied.

Temperature
room temperature
Atmosphere
not specified for UV-vis-NIR/DRIFTS
Geometry
PIKE DiffusIR accessory
Context
pristine framework powder
Measurement source
S5-S6 · Diffuse reflectance UV-vis-NIR spectroscopy; DRIFTS · Fig. 7
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
NIR IVCT band centreapproximately 4000Text
Approximate
8563 · Diffuse reflectance spectroscopy · Fig. 7a
Optical band gap Eg from Tauc plot2.02Text
Rounded Reported
8563 · Diffuse reflectance spectroscopy · Fig. 7b
Higher-energy TTFTB radical-cation absorption bandapproximately 21000Text
Approximate
8562-8563 · Diffuse reflectance spectroscopy · Fig. 7a
TTFTB radical-cation absorption band range13500 to 14000Text
Range
8562-8563 · Diffuse reflectance spectroscopy · Fig. 7a