Spectroscopy — Photocatalytic Hydrogen Peroxide Production through Functionalized Semiconductive Metal-Organic Frameworks

7 measurement groups · 27 results

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

EFB-MOF powder · Powder

FTIR used to verify alkyne consumption, tetrazine change, and C-F vibration after click reaction.

Context: Series comparison.
Measurement source: main p.3, article p.11321 · Synthesis and Characterization · Figure S10

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C-C-H stretch disappearance	C-C-H stretch vibration disappearance at 3287 cm-1	—	—	Text Rounded Reported	main p.3, article p.11321 · Synthesis and Characterization · Figure S10
EFB-MOF C-F stretch vibration	1016 cm-1	—	—	Text Rounded Reported	main p.3, article p.11321 · Synthesis and Characterization · Figure S10
Tetrazine-induced vibration	1367 cm-1	—	—	Text Rounded Reported	main p.3, article p.11321 · Synthesis and Characterization · Figure S10

EFB-MOF powder · Powder

5 mg sample digested in D2O/DCl; linker-to-pillar ratio from integrations.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DPT-MOF experimental HHB:pillar ratio	1:1.55	—	—	SI Table Exact Reported	SI p.S13 · 1H NMR digestion · Table S2
EFB-MOF experimental HHB:pillar ratio	1:1.45	—	—	SI Table Exact Reported	SI p.S13 · 1H NMR digestion · Table S2
PA-MOF experimental HHB:pillar ratio	1:1.59	—	—	SI Table Exact Reported	SI p.S13 · 1H NMR digestion · Table S2

EFB-MOF powder · Powder

PL spectra excited at 350 nm; PL decay analysed at 450 nm excitation by TCSPC.

Context: Powder/dispersion optical measurement.
Measurement source: main p.5, article p.11323 · Photocatalytic H2O2 Production and Mechanistic Insights · Figure 4c and Figure S20

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DPT-MOF average PL lifetime	0.05 ns	—	—	Text Exact Reported	main p.5, article p.11323 · Photocatalytic H2O2 Production and Mechanistic Insights · Figure 4c
DPT-MOF PL emission peak	611 nm	—	—	Text Exact Reported	main p.5, article p.11323 · Photocatalytic H2O2 Production and Mechanistic Insights · Figure S20
EFB-MOF average PL lifetimeMarked as a best value within this paper	0.76 ns	—	—	Text Exact Reported	main p.5, article p.11323 · Photocatalytic H2O2 Production and Mechanistic Insights · Figure 4c
EFB-MOF PL emission peak	510 nm	—	—	Text Exact Reported	main p.5, article p.11323 · Photocatalytic H2O2 Production and Mechanistic Insights · Figure S20
PA-MOF average PL lifetime	0.36 ns	—	—	Text Exact Reported	main p.5, article p.11323 · Photocatalytic H2O2 Production and Mechanistic Insights · Figure 4c
PA-MOF PL emission peak	493 nm	—	—	Text Exact Reported	main p.5, article p.11323 · Photocatalytic H2O2 Production and Mechanistic Insights · Figure S20

EFB-MOF powder · Powder

10 mg MOF in 5 mL O2-saturated H2O; visible light irradiation for 5, 10, and 15 min; solution drop-cast for ATR FTIR.

Atmosphere: O2-saturated water
Geometry: Closed system.
Context: Powder suspension.
Measurement source: SI p.S3 · Time-Dependent FTIR Analysis · Figure 4f and Figure S22

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Superoxide FTIR band range	1139-1167 cm-1	—	—	Text Range	main p.6, article p.11324 · Photocatalytic H2O2 Production and Mechanistic Insights · Figure 4f
Hydroxyl radical FTIR band range	811-842 cm-1	—	—	Text Range	main p.6, article p.11324 · Photocatalytic H2O2 Production and Mechanistic Insights · Figure 4f

EFB-MOF powder · Powder

EVB calculated by subtracting ESECO and EHOMO from 21.2 eV excitation energy.

Context: Series comparison.
Measurement source: main p.3, article p.11321 · Characterizations of Optical and Electronic Properties · Figure S17

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DPT-MOF conduction band energy calculated from EVB and band gap	-4.90 eV	—	—	Calculated From Reported Approximate	main p.4, article p.11322 · Characterizations of Optical and Electronic Properties · Figure 3c
DPT-MOF valence band energy	-6.93 eV	—	—	Text Exact Reported	main p.3, article p.11321 · Characterizations of Optical and Electronic Properties · Figure S17
EFB-MOF conduction band energy calculated from EVB and band gap	-3.93 eV	—	—	Calculated From Reported Approximate	main p.4, article p.11322 · Characterizations of Optical and Electronic Properties · Figure 3c
EFB-MOF valence band energy	-6.47 eV	—	—	Text Exact Reported	main p.3, article p.11321 · Characterizations of Optical and Electronic Properties · Figure S17
PA-MOF conduction band energy calculated from EVB and band gap	-4.10 eV	—	—	Calculated From Reported Approximate	main p.4, article p.11322 · Characterizations of Optical and Electronic Properties · Figure 3c
PA-MOF valence band energy	-6.53 eV	—	—	Text Exact Reported	main p.3, article p.11321 · Characterizations of Optical and Electronic Properties · Figure S17

EFB-MOF powder · Powder

MOF nanoparticles dispersed in isopropanol; band gaps calculated from Tauc plot.

Context: Series comparison plus Cu3(C6O6)2 control.
Measurement source: main p.4, article p.11322 · Characterizations of Optical and Electronic Properties · Figure 3a,b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DPT-MOF optical band gap	2.03 eV	—	—	Text Exact Reported	main p.3, article p.11321 · Characterizations of Optical and Electronic Properties · Figure 3b
EFB-MOF optical band gapMarked as a best value within this paper	2.54 eV	—	—	Text Exact Reported	main p.3, article p.11321 · Characterizations of Optical and Electronic Properties · Figure 3b
PA-MOF optical band gap	2.43 eV	—	—	Text Exact Reported	main p.3, article p.11321 · Characterizations of Optical and Electronic Properties · Figure 3b

EFB-MOF powder · Powder

High-resolution Cu 2p3/2 XPS; Auger LMM used to assign Cu2+ and Cu+.

Context: Series comparison after postsynthetic functionalisation.
Measurement source: main p.3, article p.11321 · Synthesis and Characterization · Figure 1d and Figure S12

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Auger Cu+ LMM energy	570 eV	—	—	Text Rounded Reported	main p.3, article p.11321 · Synthesis and Characterization · Figure S12
Auger Cu2+ LMM energy	572 eV	—	—	Text Rounded Reported	main p.3, article p.11321 · Synthesis and Characterization · Figure S12
DPT-MOF Cu+/0 Cu 2p3/2 binding energy	~932 eV	—	—	Text Approximate	main p.3, article p.11321 · Synthesis and Characterization · Figure 1d
DPT-MOF Cu2+ Cu 2p3/2 binding energy	~934 eV	—	—	Text Approximate	main p.3, article p.11321 · Synthesis and Characterization · Figure 1d