Spectroscopy — Imparting Functionality and Enhanced Surface Area to a 2D Electrically Conductive MOF via Macrocyclic Linker

6 measurement groups · 14 results

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

Ni-metalated Cu-HHTP control · Powder

Cu-HHTP subjected to Ni or Co metalation; PXRD and EDS tables compare resulting control materials.

Geometry: Powder
Context: Cu-HHTP structural analogue control.
Measurement source: SI pp.S27-S28 · Characterization of metalated Cu-HHTP · Figure S30; Tables S8-S9

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Co atomic percent in metalated Cu-HHTP control	Co 0.18 atomic %	—	—	SI Table Exact Reported	SI p.S28 · Characterization of metalated Cu-HHTP · Table S9
Ni atomic percent in metalated Cu-HHTP control	Ni 0.20 atomic %	—	—	SI Table Exact Reported	SI p.S28 · Characterization of metalated Cu-HHTP · Table S8

Ni-metalated Cu-HHTC · Powder

EDS composition tables for Ni- and Co-metalated Cu-HHTC; ICP-MS table reports metal atomic percentages.

Geometry: Powder
Context: Metalated Cu-HHTC samples.
Measurement source: SI p.S24 · Energy-dispersive X-ray spectroscopy · Tables S5-S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Co atomic percent by EDS	Co 1.13 atomic %	—	—	SI Table Exact Reported	SI p.S24 · Energy-dispersive X-ray spectroscopy · Table S6
Co atomic percent by ICP-MS	Co 18.67 atomic %	—	—	SI Table Exact Reported	SI p.S24 · Energy-dispersive X-ray spectroscopy · Table S7
Ni atomic percent by EDS	Ni 1.20 atomic %	—	—	SI Table Exact Reported	SI p.S24 · Energy-dispersive X-ray spectroscopy · Table S5
Ni atomic percent by ICP-MS	Ni 17.57 atomic %	—	—	SI Table Exact Reported	SI p.S24 · Energy-dispersive X-ray spectroscopy · Table S7

Pristine Cu-HHTC synthesised at 50 C for 8 h · Powder

Solid-phase FT-IR comparing HHTC ligand and Cu-HHTC.

Geometry: Powder
Context: Pristine Cu-HHTC compared with ligand.
Measurement source: main p.3, article p.10617 · Structure Characterization · Figure 2c

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Retained alkyne C-C stretch	absorption at 2120 cm-1	—	—	Text Rounded Reported	main p.3, article p.10617 · Structure Characterization · Figure 2c
Catechol O-H stretching disappearance	O-H stretch at 3521 cm-1 disappears after MOF formation	—	—	Text Rounded Reported	main p.3, article p.10617 · Structure Characterization · Figure 2c

Co-metalated Cu-HHTC · Powder

FT-IR compares alkyne C-C stretching before and after Ni/Co metalation.

Geometry: Powder
Context: Metalated Cu-HHTC compared with pristine Cu-HHTC.
Measurement source: main p.5, article p.10619 · Postsynthetic Metalation · Figure S25

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C-C stretch shift after metalation	decrease at ~2120 cm-1 and increase at ~1900 cm-1	—	~	Text Approximate	main p.5, article p.10619 · Postsynthetic Metalation · Figure S25

Pristine Cu-HHTC synthesised at 50 C for 8 h · Powder

As-synthesised MOF dispersed in isopropyl alcohol for UV-vis-NIR; Tauc plot derived from absorbance.

Geometry: Dispersion
Context: Pristine Cu-HHTC compared with HHTC linker.
Measurement source: main p.3, article p.10617 · Electronic Structure Characterization · Figure 3a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Near-infrared absorption peak/band	absorption at 1000 nm extending to NIR	—	—	Text Rounded Reported	main p.3, article p.10617 · Electronic Structure Characterization · Figure 3a
Optical bandgap	0.78 eV	—	—	Text Exact Reported	main p.3, article p.10617 · Electronic Structure Characterization · Figure 3a

Pristine Cu-HHTC synthesised at 50 C for 8 h · Powder

Versaprobe II under ultrahigh vacuum with monochromatic Al Kalpha source; high-resolution Cu 2p and O 1s spectra.

Atmosphere: ultrahigh vacuum, base pressure 1e-10 mbar
Geometry: Powder
Context: Pristine Cu-HHTC framework.
Measurement source: SI p.S16 · X-ray photoelectron spectroscopy · Figure S15

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu(I) 2p3/2 binding energy	933.2 eV	—	—	Text Exact Reported	main p.3, article p.10617 · Structure Characterization · Figure S15a
Cu(II) 2p3/2 binding energy	935.1 eV	—	—	Text Exact Reported	main p.3, article p.10617 · Structure Characterization · Figure S15a
O 1s binding energies	531.4 and 533.7 eV assigned to C=O and C-O	—	—	Text Exact Reported	main p.3, article p.10617 · Structure Characterization · Figure S15b