Spectroscopy — Gas-Induced Electrical and Magnetic Modulation of Two-Dimensional Conductive Metal–Organic Framework

3 measurement groups · 15 results

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

Cu3(C6O6)2/KBr DRIFTS blend · Powder

0.5 mg MOF/KBr blend; 1% NH3, H2S or NO in N2; spectra about every 4 min; 400-4000 cm-1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
H2S C-OH vibration band	1003 cm-1	—	—	Text Exact Reported	7 · Spectroscopic Assessment · Figure 5
H2S aromatic C-C band change	around 1425 cm-1	—	—	Text Exact Reported	7 · Spectroscopic Assessment · Figure 5
NH3 adsorbed stretching band	3160 cm-1	—	—	Text Exact Reported	6 · Spectroscopic Assessment · Figure 5
NH3 adsorbed stretching band	3319 cm-1	—	—	Text Exact Reported	6 · Spectroscopic Assessment · Figure 5
negative water OH band during NH3 exposure	3571 cm-1	—	—	Text Exact Reported	6 · Spectroscopic Assessment · Figure 5
NO C-N stretching band	1033 cm-1	—	—	Text Exact Reported	7 · Spectroscopic Assessment · Figure 5

gas-exposed Cu3(C6O6)2 EPR tube samples · Powder

298 K and 77 K; 9.77 GHz; centre field 3500 G; sweep width 3000 G

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
H2S EPR change	significantly increased unsymmetrical feature	—	—	Text Qualitative	6-7 · Spectroscopic Assessment · Figure 5
NH3 EPR change	enhanced unsymmetrical feature with intensity increase	—	—	Text Qualitative	6-7 · Spectroscopic Assessment · Figure 5
NO EPR change	no significant lineshape or intensity change	—	—	Text Qualitative	6-7 · Spectroscopic Assessment · Figure 5

NH3-exposed Cu3(C6O6)2 powder, 1% for 6 h · Powder

gas-exposed powders after 1% NH3, H2S or NO for 6 h; base pressure about 1e-7 Torr

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
H2S S 2p3/2 Cu2S component	161.8 eV	—	—	Text Exact Reported	7 · Spectroscopic Assessment · Figure 5
H2S S 2p3/2 polysulfide component	163.8 eV	—	—	Text Exact Reported	7 · Spectroscopic Assessment · Figure 5
H2S S 2p3/2 CuSH component	164.8 eV	—	—	Text Exact Reported	7 · Spectroscopic Assessment · Figure 5
NH3 N 1s Cu-bound component	398.6 eV	—	—	Text Exact Reported	6 · Spectroscopic Assessment · Figure 5
NH3 N 1s Bronsted-bound component	401.2 eV	—	—	Text Exact Reported	6 · Spectroscopic Assessment · Figure 5
NO C 1s electron-withdrawing species peak	288.3 eV	—	—	Text Exact Reported	7 · Spectroscopic Assessment · Figure 5