Spectroscopy — Synthetic Routes for a 2D Semiconductive Copper Hexahydroxybenzene Metal-Organic Framework

3 measurement groups · 9 results

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

UV-vis-NIR absorption spectroscopy and photoemission spectroscopy in air (PESA)

UV-visible and optical absorption spectroscopy

Cu-HHB H2O 60 C post-treated powder · Powder

Absorption spectra taken on a CARY 6000i; PESA measured with Riken AC-2; Cu-HHB powder dispersed/spray-coated for optical spectra according to SI instrumentation.

Atmosphere: Air for PESA; not otherwise specified
Geometry: Powder/film optical spectroscopy sample
Context: Post-treated pristine Cu-HHB powder
Measurement source: p003 · Main text · Figure 4a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Optical absorption edge / approximate band gapMarked as a best value within this paper	~1 eV	—	~	Text Approximate	p003 · Main text · Figure 4a
PESA HOMO levelMarked as a best value within this paper	-5.37 eV relative to vacuum level	—	—	Text Exact Reported	p003 · Main text · Figure 4a inset

XPS and elemental analysis

X-ray photoelectron spectroscopy Bulk elemental and compositional analysis

Cu-HHB H2O 60 C post-treated powder · Powder

XPS using PHI Versaprobe III with Al K alpha radiation; elemental analyses C, H and N from Atlantic Microlab.

Atmosphere: Not specified
Geometry: Powder surface/compositional characterisation
Context: Pristine Cu-HHB powder with ethylenediammonium charge-balancing species
Measurement source: p003 · Main text · Figure S10; Table S2; Scheme S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu 2p3/2 dominant XPS peak	~933 eV; dominant Cu(II) with trace Cu(I)	—	~	Text Approximate	p003 · Main text · Figure S10
Cu-HHB elemental analysis C trial 1	26.30 wt%	—	—	SI Table Exact Reported	S9 · Table S2 · Table S2
EA-derived Cu-HHB formulaMarked as a best value within this paper	Cu3(C6O6)2(NH3CH2CH2NH3)1.36	—	—	Text Exact Reported	S9 · Table S2 discussion · Table S2; Scheme S1
Cu-HHB elemental analysis N trial 1	5.65 wt%	—	—	SI Table Exact Reported	S9 · Table S2 · Table S2

XPS and elemental analysis

X-ray photoelectron spectroscopy Bulk elemental and compositional analysis

Cu-THQ H2O 60 C post-treated powder · Powder

Elemental analysis of Cu-THQ and high-resolution XPS comparison with Cu-HHB.

Atmosphere: Not specified
Geometry: Powder surface/compositional characterisation
Context: Pristine Cu-THQ powder with ethylenediammonium charge-balancing species
Measurement source: S14 · Section 4 · Table S3; Figure S18

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-THQ elemental analysis C trial 1	26.06 wt%	—	—	SI Table Exact Reported	S14 · Table S3 · Table S3
EA-derived Cu-THQ formula	Cu3(C6O6)2(NH3CH2CH2NH3)1.46	—	—	Text Exact Reported	S14 · Table S3 discussion · Table S3
Cu-THQ elemental analysis N trial 1	5.97 wt%	—	—	SI Table Exact Reported	S14 · Table S3 · Table S3