Spectroscopy — High electrical conductivity and high porosity in a Guest@MOF material: Evidence of TCNQ ordering within Cu3BTC2 micropores

3 measurement groups · 10 results

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

Auger electron spectroscopy (AES)

VPI xTCNQ@Cu3BTC2 concentration series · Powder

Scanning Auger electron spectroscope at room temperature; powder particles spread over gold-coated surface; primary beam 10 keV; 0 degree take-off angle; 8 nm probe for elemental analysis.

Geometry: SEM/AES image of Cu(TCNQ) nanowire on Cu3BTC2 crystal
Context: surface byproduct on guest-loaded MOF
Measurement source: 7407, 7410-7411 · Results and Experimental - Auger electron spectroscopy · Figure S13

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
AES elemental mapping of Cu(TCNQ) nanowire	homogeneous distribution of C, N, and Cu	—	—	Qualitative Qualitative	7407 · Results · Figure S13

FTIR/ATR

Infrared spectroscopy

VPI xTCNQ@Cu3BTC2 concentration series · Powder

FTIR of powder samples in argon atmosphere on ALPHA FTIR with Pt ATR unit at room temperature, 400-4000 cm^-1, 2 cm^-1 resolution, 64 scans.

Atmosphere: argon
Geometry: ATR
Context: pristine and TCNQ-loaded Cu3BTC2 powders
Measurement source: 7408, 7410 · Results and Experimental - Fourier transform infrared spectroscopy · Figure 5; Figure S6

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Second CN vibration at high TCNQ loading	2200 cm^-1	—	—	Text Exact Reported	7408 · Results · Figure 5; Figure S6
Main CN vibration in TCNQ-loaded samples	2222 cm^-1	—	—	Text Exact Reported	7408 · Results · Figure 5
CN shoulder at high TCNQ loading	2170 cm^-1	—	—	Text Exact Reported	7408 · Results · Figure 5; Figure S6

X-ray photoelectron spectroscopy (XPS)

X-ray photoelectron spectroscopy

VPI xTCNQ@Cu3BTC2 concentration series · Powder

PHI5000 Versa Probe II with Al anode; samples transferred from Ar glovebox in Ar transfer vessel; 100 W X-ray power; pass energy 23.5 eV for detail and 187.9 eV for survey; charge corrected to C 1s 284.8 eV.

Atmosphere: argon transfer; analysis chamber ~10^-7 Pa
Geometry: 100 um x 1400 um X-ray spot
Context: pristine, 0.5TCNQ@Cu3BTC2 and 1.0TCNQ@Cu3BTC2
Measurement source: 7411 · Experimental - X-ray photoelectron spectroscopy · Figures S19-S20

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu(I)/Cu(II) ratio for 0.5TCNQ@Cu3BTC2	2.62	—	—	Text Exact Reported	S12-S13 · X-ray photoelectron spectroscopy · Figure S19
Cu(I)/Cu(II) ratio for 1.0TCNQ@Cu3BTC2	2.36	—	—	Text Exact Reported	S12-S13 · X-ray photoelectron spectroscopy · Figure S19
Cu(I)/Cu(II) ratio for pristine Cu3BTC2	1.50	—	—	Text Exact Reported	S12-S13 · X-ray photoelectron spectroscopy · Figure S19
0.5TCNQ@Cu3BTC2 N 1s peak	399.02 eV	—	—	Figure Axis Exact Reported	S14 · X-ray photoelectron spectroscopy · Figure S20
1.0TCNQ@Cu3BTC2 N 1s peak	398.89 eV	—	—	Figure Axis Exact Reported	S14 · X-ray photoelectron spectroscopy · Figure S20
TCNQ N 1s peak	398.85 eV	—	—	Figure Axis Exact Reported	S14 · X-ray photoelectron spectroscopy · Figure S20