Spectroscopy — Dimensionality Modulates Electrical Conductivity in Compositionally Constant One-, Two-, and Three-Dimensional Frameworks

3 measurement groups · 17 results

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

Ni-1D rods/bricks · Powder

Diffuse reflectance UV-vis-NIR from 200-2500 nm, stitched manually with DRIFTS spectra for Tauc plots.

Atmosphere: ambient for oxidised samples; air-free/in situ protocols for Ni-3D
Context: Ni-1D, Ni-2D, Ni-3D and Ni-3D-ox
Measurement source: SI p.6 · Diffuse reflectance UV-vis-NIR spectra · Figure 7, Figure S36

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni-1D NIR band maximum	1172 nm	—	—	Text Exact Reported	main p.7, article p.5589 · Electronic Structures · Figure 7a
Ni-1D optical band gap	0.70 eV	—	—	Text Exact Reported	main p.7, article p.5589 · Electronic Structures · Figure 7c,d
Ni-2D NIR band maximum	1081 nm	—	—	Text Exact Reported	main p.7, article p.5589 · Electronic Structures · Figure 7a
Ni-2D optical band gap	0.82 eV	—	—	Text Exact Reported	main p.7, article p.5589 · Electronic Structures · Figure 7c,d
Ni-3D optical band gap	2.06 eV	—	—	Text Exact Reported	main p.7, article p.5589 · Electronic Structures · Figure 7c,d
Ni-3D-ox optical band gap	1.60 eV	—	—	Text Exact Reported	main p.7, article p.5589 · Electronic Structures · Figure 7c,d

Ni-1D rods/bricks · Powder

Magnetic susceptibility under 1 kOe from 1.8-300 K; EPR under nitrogen at about 4.5-5 K.

Temperature: 1.8-300; about 4.5-5
Atmosphere: nitrogen for EPR
Context: Ni-1D, Ni-2D, Ni-3D-ox
Measurement source: SI p.7 · Electron paramagnetic resonance spectroscopy; Magnetic measurements · Figures 7e-f, S37-S39

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni-1D chiMT at 293 K	0.30 cm3 K mol-1 per Ni-TIBQ unit	—	—	Text Exact Reported	main p.7, article p.5589 · Electronic Structures · Figure 7e
Ni-1D EPR g value	g = 2.05	—	—	Text Rounded Reported	main p.7, article p.5589 · Electronic Structures · Figure S39
Ni-2D EPR g value	g = 2.08	—	—	Text Rounded Reported	main p.7, article p.5589 · Electronic Structures · Figure S39
Ni-3D-ox chiMT at 293 K	0.95 cm3 K mol-1 per Ni-TIHQ unit	—	—	Text Exact Reported	main p.7, article p.5589 · Electronic Structures · Figure 7e

Ni-3D-ox from ambient workup · Powder

PHI Versaprobe II XPS; Al anode; high-resolution C1s, N1s, O1s and Ni2p; VB-XPS resolution 0.05 eV.

Atmosphere: ultrahigh vacuum
Geometry: powders pressed on copper tape
Context: Ni-1D, Ni-2D, Ni-3D-ox powders
Measurement source: SI pp.5,47-48 · X-ray photoelectron spectroscopy (XPS); XPS related discussion · Figures S7-S9, S32

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni-1D highest occupied states below Fermi level by UPS	about 0.45 eV below EF	—	—	Text Approximate	main p.9, article p.5591 · Electrical Conductivity · Figure 8e, Figure S52
Ni-1D Ni 2p3/2 binding energy	855.1 eV	—	—	Text Exact Reported	SI p.48 · XPS related discussion · Figure S9
Ni-2D highest occupied state by VB-XPS	about 0.6 eV below EF	—	—	Text Approximate	SI p.68 · Figure S53 caption · Figure S53
Ni-2D Ni 2p3/2 binding energy	855.3 eV	—	—	Text Exact Reported	SI p.48 · XPS related discussion · Figure S8
Ni-2D O 1s binding energy for bridging water	535.2 eV	—	—	Text Exact Reported	SI p.48 · XPS related discussion · Figure S8
Ni-3D-ox highest occupied states below Fermi level by UPS	about 1.3 eV below EF	—	—	Text Approximate	main p.9, article p.5591 · Electrical Conductivity · Figure 8e, Figure S52
Ni-3D-ox Ni 2p3/2 binding energy	855.4 eV	—	—	Text Exact Reported	SI p.48 · XPS related discussion · Figure S32