Spectroscopy — Two-dimensional d-π conjugated metal-organic framework based on hexahydroxytrinaphthylene

6 measurement groups · 16 results

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

as-synthesised Cu3(HHTN)2 dark brown powder · Powder

Samples about 2 mg in EPR tube; Bruker BioSpin spectrometer; liquid nitrogen temperature.

Temperature: liquid nitrogen temperature
Geometry: EPR tube
Context: pristine target framework and HHTN ligand comparison
Measurement source: 12-13 · S7 Electron Paramagnetic Spectroscopy (EPR) · Table S2, Fig. S22

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu3(HHTN)2 EPR microwave frequency	9.663 GHz	—	—	SI Table Exact Reported	13 · S7 Electron Paramagnetic Spectroscopy (EPR) · Table S2
Cu3(HHTN)2 EPR g valueMarked as a best value within this paper	g=2.07259	—	—	Text Exact Reported	12 · S7 Electron Paramagnetic Spectroscopy (EPR) · Fig. S22

as-synthesised Cu3(HHTN)2 dark brown powder · Powder

Cu3(HHTN)2 mixed with KBr powder at mass ratio about 1:50 and pressed into pellet after 24 h vacuum desiccation.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source

iodine-doped Cu3(HHTN)2 powder · Powder

EPR spectrum compared to pristine Cu3(HHTN)2 broad signal.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
iodine-doped additional EPR g valueMarked as a best value within this paper	g = 1.994	—	—	Text Exact Reported	18 · S11 I2 Doping Study of Cu3(HHTN)2 · Fig. S31

iodine-doped Cu3(HHTN)2 powder · Powder

Survey and high-resolution C 1s, I 3d, O 1s, Cu 2p spectra after iodine doping.

Atmosphere: ultrahigh vacuum during XPS
Geometry: powder on copper tape
Context: doped framework compared with pristine
Measurement source: 16-17 · S11 I2 Doping Study of Cu3(HHTN)2 · Fig. S29-S30

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
iodine-doped XPS carbon content	C 56.1%	—	—	Text Exact Reported	17 · S11 I2 Doping Study of Cu3(HHTN)2 · Fig. S29
iodine-doped XPS copper content	Cu 5.3%	—	—	Text Exact Reported	17 · S11 I2 Doping Study of Cu3(HHTN)2 · Fig. S29
iodine-doped Cu(II):Cu(I) ratio	Cu(II):Cu(I) ratio of ~9:1; intensity ratio 89:11	—	~	Text Approximate	17 · S11 I2 Doping Study of Cu3(HHTN)2 · Fig. S30d
I 3d7/2 binding energy after iodine doping	630.4 eV	—	—	Text Exact Reported	17 · S11 I2 Doping Study of Cu3(HHTN)2 · Fig. S30b
iodine-doped XPS iodine contentMarked as a best value within this paper	I 18.52%	—	—	Text Exact Reported	17 · S11 I2 Doping Study of Cu3(HHTN)2 · Fig. S29

as-synthesised Cu3(HHTN)2 dark brown powder · Powder

Absorption spectrum and absorbance-squared versus energy inset used to estimate optical band gap at room temperature.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
absorption tail wavelength	tailed into the NIR region beyond 850 nm	—	beyond	Text Approximate	4 · 2.5 Electronic properties and tunability · Fig. 4a
optical band gapMarked as a best value within this paper	1.61 eV	—	—	Text Exact Reported	4 · 2.5 Electronic properties and tunability · Fig. 4a

as-synthesised Cu3(HHTN)2 dark brown powder · Powder

Kratos Analytical AXIS Supra, ultrahigh vacuum, monochromatic Al Kalpha source; survey and high-resolution C 1s, N 1s, O 1s, Cu 2p3/2 spectra.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
pristine XPS carbon elemental content	C 69.5%	—	—	Text Exact Reported	8 · S4 X-ray Photoelectron Spectroscopy · Fig. S9
pristine XPS copper elemental content	Cu 7.5%	—	—	Text Exact Reported	8 · S4 X-ray Photoelectron Spectroscopy · Fig. S9
Cu(I):Cu(II) ratio in pristine MOF	Cu(I):Cu(II) = 41:59, close to 2:3	—	—	Text Exact Reported	8 · S4 X-ray Photoelectron Spectroscopy · Fig. S10d
pristine XPS nitrogen elemental content	N 7.4%	—	—	Text Exact Reported	8 · S4 X-ray Photoelectron Spectroscopy · Fig. S9-S10b
O 1s C-O:C=O intensity ratio	48:52	—	—	Text Exact Reported	4 · 2.4 Chemical analysis · Fig. S10c
pristine XPS oxygen elemental content	O 15.7%	—	—	Text Exact Reported	8 · S4 X-ray Photoelectron Spectroscopy · Fig. S9