Spectroscopy — Superexchange Charge Transport in Loaded Metal Organic Frameworks

5 measurement groups · 24 results

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

F4-TCNQ-loaded HKUST-1 SURMOF, 5 spray cycles · Thin Film

Bruker VERTEX 80v, grazing-incidence reflection at 80 degrees relative to surface normal, 2 cm-1 resolution, MCT detector.

Context: F4-TCNQ-loaded sample compared with pristine and drop-cast F4-TCNQ reference
Measurement source: 7089 · Results and Discussion · Figure 4d

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
F4-TCNQ C=N stretch reference	2227 cm-1	—	—	Text Exact Reported	7089 · Results and Discussion · Figure 4d
F4-TCNQ-loaded HKUST-1 C=N split band	2222 cm-1	—	—	Text Exact Reported	7089 · Results and Discussion · Figure 4d
F4-TCNQ-loaded HKUST-1 C=N split band	2185 cm-1	—	—	Text Exact Reported	7089 · Results and Discussion · Figure 4d

TCNQ-loaded HKUST-1 SURMOF, 10 spray cycles · Thin Film

Bruker VERTEX 80v, grazing-incidence reflection at 80 degrees relative to surface normal, 2 cm-1 resolution, MCT detector.

Context: TCNQ-loaded sample compared with pristine and drop-cast TCNQ reference
Measurement source: 7089 · Results and Discussion · Figure 4c

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
HKUST-1 COO asymmetric IRRAS band	1656 cm-1	—	—	Text Exact Reported	7089 · Results and Discussion · Figure 4c
HKUST-1 COO symmetric IRRAS band	1455 cm-1	—	—	Text Exact Reported	7089 · Results and Discussion · Figure 4c
HKUST-1 COO symmetric IRRAS band	1386 cm-1	—	—	Text Exact Reported	7089 · Results and Discussion · Figure 4c
Drop-cast TCNQ C=N stretch reference	2227 cm-1	—	—	Text Exact Reported	7089 · Results and Discussion · Figure 4c
TCNQ-loaded HKUST-1 C=N split band	2200 cm-1	—	—	Text Exact Reported	7089 · Results and Discussion · Figure 4c
TCNQ-loaded HKUST-1 C=N split band	2165 cm-1	—	—	Text Exact Reported	7089 · Results and Discussion · Figure 4c
TCNQ-loaded HKUST-1 new C=C ring stretch band	1354 cm-1	—	—	Text Exact Reported	7089 · Results and Discussion · Figure 4c

F4-TCNQ-loaded HKUST-1 SURMOF, 5 spray cycles · Thin Film

Bruker Senterra Raman microscope, 532 nm excitation, 60 s integration, 3 co-additions.

Context: F4-TCNQ-loaded 5-cycle sample compared with pristine and drop-cast F4-TCNQ reference
Measurement source: S10-S11 · 2.3.2 Characterization by vibrational spectroscopies · Figure S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Drop-cast F4-TCNQ Raman C=N stretch	2225 cm-1	—	—	Text Exact Reported	S10 · 2.3.2 Characterization by vibrational spectroscopies · Figure S8
F4-TCNQ-loaded Raman C=N stretch shift	2225 cm-1 shifted to 2235 cm-1	—	—	Text Exact Reported	S10 · 2.3.2 Characterization by vibrational spectroscopies · Figure S8
F4-TCNQ-loaded Raman C=C ring stretch shift	1662 cm-1 shifted to 1644 cm-1	—	—	Text Exact Reported	S10 · 2.3.2 Characterization by vibrational spectroscopies · Figure S8
F4-TCNQ-loaded Raman C=C wing stretch shift	1454 cm-1 shifted to 1392 cm-1	—	—	Text Exact Reported	S10 · 2.3.2 Characterization by vibrational spectroscopies · Figure S8

TCNQ-loaded HKUST-1 SURMOF, 10 spray cycles · Thin Film

Bruker Senterra Raman microscope, 532 nm excitation, 60 s integration, 3 co-additions.

Context: TCNQ-loaded 10-cycle sample compared with pristine and drop-cast TCNQ reference
Measurement source: S3-S7 · 1.5; 2.1.2 Characterization by vibrational spectroscopies · Figure S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Drop-cast TCNQ Raman C=N stretch	2226 cm-1	—	—	Text Exact Reported	S7 · 2.1.2 Characterization by vibrational spectroscopies · Figure S4
TCNQ-loaded Raman C=N split band	2222 cm-1	—	—	Text Exact Reported	S7 · 2.1.2 Characterization by vibrational spectroscopies · Figure S4
TCNQ-loaded Raman C=N split band	2208 cm-1	—	—	Text Exact Reported	S7 · 2.1.2 Characterization by vibrational spectroscopies · Figure S4
New TCNQ-loaded Raman band	1270 cm-1	—	—	Text Exact Reported	S7 · 2.1.2 Characterization by vibrational spectroscopies · Figure S4
New TCNQ-loaded Raman band	1330 cm-1	—	—	Text Exact Reported	S7 · 2.1.2 Characterization by vibrational spectroscopies · Figure S4
New TCNQ-loaded Raman band	1638 cm-1	—	—	Text Exact Reported	S7 · 2.1.2 Characterization by vibrational spectroscopies · Figure S4
TCNQ C=C ring stretch shift after loading	1601 cm-1 shifted to 1605 cm-1	—	—	Text Exact Reported	S7 · 2.1.2 Characterization by vibrational spectroscopies · Figure S4
TCNQ C=C wing stretch shift after loading	1454 cm-1 shifted to 1374 cm-1	—	—	Text Exact Reported	S7 · 2.1.2 Characterization by vibrational spectroscopies · Figure S4

TCNQ-loaded HKUST-1 SURMOF, 20 spray cycles · Thin Film

TOF.SIMS5 with Bi3+ primary ion pulses at 25 keV; C60+ erosion at 20 keV, 1.1 nA over 750 x 750 um2; UHV base pressure <1e-8 mbar.

Atmosphere: UHV
Context: TCNQ-loaded depth-profile sample
Measurement source: S4-S8 · 1.5; 2.1.3 Time-of-flight secondary ion mass spectrometry · Figure S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
TCNQ depth homogeneity	homogeneous loading throughout the entire depth of the HKUST-1 SURMOF	—	—	Text Qualitative	S8 · 2.1.3 Time-of-flight secondary ion mass spectrometry · Figure S5
ToF-SIMS sputter equilibrium fluence	3.5 x 10^13 ions/cm2	—	—	Text Exact Reported	S8 · 2.1.3 Time-of-flight secondary ion mass spectrometry · Figure S5