Spectroscopy — Pd uptake and H2S sensing by an amphoteric metal-organic framework with a soft core and rigid side arms

6 measurement groups · 16 results

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

1a-Pd-H2 · Powder

BFMOF-1a, BFMOF-1, 1a-PdCl2 and 1a-Pd-H2 compared by diffuse reflectance spectra.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source

BFMOF-1a desolvated/solvent-exchanged crystals · Single Crystal

Emission spectra under 370 nm excitation for BFMOF-1 and BFMOF-1a.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
BFMOF-1 emission maximum	approximately 460 nm	—	visual estimate from plot	Visual Estimate Approximate	SI p.S14 · Figure S10 · Figure S10
BFMOF-1a emission maximum	approximately 455 nm	—	visual estimate from plot	Visual Estimate Approximate	SI p.S14 · Figure S10 · Figure S10

1a-H2S · Single Crystal

BFMOF-1a exposed to H2S gas at room temperature for 0.5 h.

Temperature: room temperature
Atmosphere: H2S
Context: H2S-loaded host
Measurement source: SI p.S8 · 1a-H2S from treatment of BFMOF-1a with H2S gas

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
1a-H2S compositionMarked as a best value within this paper	Pb6O2(L)2(H2S)2(H2O)4	—	—	Text Exact Reported	main p.3, article p.14440 · H2S uptake
H2S molecules per Pb6O2 clusterMarked as a best value within this paper	two H2S molecules per Pb6O2 cluster	—	—	Text Exact Reported	main p.3, article p.14440 · H2S uptake

1a-PdCl2 · Single Crystal

Metal-loaded samples dissolved in H2SO4/HNO3 and diluted to 10 mL with water; PerkinElmer Optima 2100 DV.

Context: guest-loaded metal salt samples compared to BFMOF-1a host
Measurement source: SI p.S1 and S7-S9 · General Procedure; metal-salt treatments

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ag/Pb ratio in 1a-AgBF4	Ag/Pb ratio of 1.40:1	—	—	Text Exact Reported	SI p.S8 · Treatment of BFMOF-1a by AgBF4
Cd/Pb ratio in 1a-CdCl2	Cd/Pb ratio of 0.26:1	—	—	Text Exact Reported	SI p.S9 · Treatment of BFMOF-1a by CdCl2
Hg/Pb ratio in 1a-HgCl2	Hg/Pb ratio of 0.37:1	—	—	Text Exact Reported	SI p.S8 · Treatment of BFMOF-1a by HgCl2
Pd/Pb ratio in 1a-PdCl2Marked as a best value within this paper	Pd:Pb ratio of 2.51:1	—	—	Text Exact Reported	main p.3, article p.14440 · PdCl2 uptake
PdCl2 units per Pb6O2(L)2 formulaMarked as a best value within this paper	Pb6O2(L)2(PdCl2)15	—	—	Text Exact Reported	main p.3, article p.14440 · PdCl2 uptake
Pt/Pb ratio in 1a-PtCl2	Pt/Pb ratio of 0.36:1	—	—	Text Exact Reported	SI p.S8-S9 · Treatment of BFMOF-1a by Pt(CH3CN)2Cl2

As-prepared BFMOF-1 single crystals · Single Crystal

Nitrogen stream, PerkinElmer STA 6000, heating rate 5 C/min.

Atmosphere: N2
Context: BFMOF-1 and BFMOF-1a
Measurement source: SI p.S2 and S9 · General Procedure; Figure S1 · Figure S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Calculated DMA and water content	7.49%	—	—	Caption Exact Reported	SI p.S9 · Figure S1 · Figure S1
BFMOF-1 DMA/water weight lossMarked as a best value within this paper	7.60% between 100 and 300 C	—	—	Caption Exact Reported	SI p.S9 · Figure S1 · Figure S1

1a-H2S · Single Crystal

Pb 4f peaks compared between BFMOF-1a and 1a-H2S.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
BFMOF-1a Pb 4f5/2 binding energy	142.7 eV	—	—	Figure Axis Rounded Reported	SI p.S14 · Figure S11 · Figure S11
BFMOF-1a Pb 4f7/2 binding energy	137.8 eV	—	—	Figure Axis Rounded Reported	SI p.S14 · Figure S11 · Figure S11
1a-H2S Pb 4f5/2 binding energy	142.5 eV	—	—	Figure Axis Rounded Reported	SI p.S14 · Figure S11 · Figure S11
1a-H2S Pb 4f7/2 binding energy	137.8 eV	—	—	Figure Axis Rounded Reported	SI p.S14 · Figure S11 · Figure S11