cMOF Evidence Base
Spectroscopy — Synthesis of a copper 1,3,5-triamino-2,4,6-benzenetriol metal-organic framework

Measurement evidence

Spectroscopy

Synthesis of a copper 1,3,5-triamino-2,4,6-benzenetriol metal-organic framework · Jiang Y., Oh I., Joo S.H. et al. · Journal of the American Chemical Society · 2020 · 18346-18354

3 measurement groups · 15 results

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

Cu 2p XPS

X-ray photoelectron spectroscopy

Iodine-doped Cu3(TABTO)2-Air-1 pellet · Pellet

Cu2p XPS spectra of Cu3(TABTO)2-Air-1 before and after iodine doping.

Context
iodine-doped Air-1 control
Measurement source
S32 · Cu2p XPS spectra · Figure S21
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Cu/I ratio in iodine-doped Cu3(TABTO)2-Air-11/20.5 Cu/I—Text
Exact Reported		S32 · Cu2p XPS spectra · Figure S21
Cu3(TABTO)2-Air-1 iodine-doped Cu(II)/Cu(I) ratio2/50.4 Cu(II)/Cu(I)—Text
Exact Reported		S32 · Cu2p XPS spectra · Figure S21
Cu3(TABTO)2-Air-1 pristine Cu(II)/Cu(I) ratio5/22.5 Cu(II)/Cu(I)—Text
Exact Reported		S32 · Cu2p XPS spectra · Figure S21

FTIR spectroscopy

Infrared spectroscopy

Cu3(TABTO)2-Ar powder · Powder

FTIR spectra of TABTO ligand and Cu3(TABTO)2-Ar compared.

Context
pristine framework structural characterisation
Measurement source
18347 · Results and Discussion · Figure 1a
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
C=C stretching bandaround 1420 cm-1—aroundText
Approximate		18347 · Results and Discussion · Figure 1a
C-N stretching bandaround 1256 cm-1—aroundText
Approximate		18347 · Results and Discussion · Figure 1a
C-O stretching bandaround 1093 cm-1—aroundText
Approximate		18347 · Results and Discussion · Figure 1a

Raman, XPS and EPR spectroscopy

Raman spectroscopyX-ray photoelectron spectroscopyElectron paramagnetic resonance

Iodine-doped Cu3(TABTO)2-Ar powder · Powder

Raman on Si/SiO2 under 532 nm excitation; XPS survey/high-resolution; EPR comparison with pristine.

Temperature
room temperature or ambient where stated
Atmosphere
ambient for Raman
Geometry
powder deposited on Si/SiO2 for Raman
Context
iodine-doped target sample
Measurement source
18350 · Results and Discussion · Figure 4 and Figure S11
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Iodine-doped Cu3(TABTO)2-Ar EPR g valueg = 2.090——Text
Exact Reported		18350 · Results and Discussion · Figure S11
Pristine Cu3(TABTO)2-Ar EPR g valueg = 2.089——Text
Exact Reported		18350 · Results and Discussion · Figure S11
Raman CuI signal147 cm-1——Text
Exact Reported		18350 · Results and Discussion · Figure 4a
Raman I3- signal112 cm-1——Text
Exact Reported		18350 · Results and Discussion · Figure 4a
I 3d XPS higher binding-energy signal631.8 eV——Text
Exact Reported		18350 · Results and Discussion · Figure 4c
I 3d XPS lower binding-energy signal620.3 eV——Text
Exact Reported		18350 · Results and Discussion · Figure 4c
Cu(I and 0)/Cu(II) ratio after iodine doping4/14 Cu(I and 0)/Cu(II)—Text
Exact Reported		18350 · Results and Discussion · Figure 4d
N 1s N=C binding energy after iodine doping400.6 eV——Text
Exact Reported		18350 · Results and Discussion · Figure 4e
Pristine Cu(I and 0)/Cu(II) ratio5/41.25 Cu(I and 0)/Cu(II)—Text
Exact Reported		18350 · Results and Discussion · Figure S1