Spectroscopy — Electrically Conductive π-Intercalated Graphitic Metal-Organic Framework Containing Alternate π-Donor/Acceptor Stacks

Measurement evidence

Spectroscopy

Electrically Conductive π-Intercalated Graphitic Metal-Organic Framework Containing Alternate π-Donor/Acceptor Stacks · Yadav A., Zhang S., Benavides P.A. et al. · Angewandte Chemie - International Edition · 2023 · e202303819

1 measurement group · 12 results

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

FT-IR, 1H NMR digestion/suspension, XPS, UV-Vis-NIR DRS, EPR, and TGA

Infrared spectroscopy X-ray photoelectron spectroscopy UV-visible and optical absorption spectroscopy Electron paramagnetic resonance Nuclear magnetic resonance Thermogravimetric analysis

iGMOF1 black powder · Powder

Composition and electronic-structure characterisation of iGMOF1, Cu3(HATP)2, HCTP-treated Cu3(HATP)2, and [HATP/HCTP]n array.

Atmosphere: TGA under air; spectroscopy conditions as in SI methods
Context: Evidence that HCTP is incorporated in iGMOF1 but not post-synthetically into Cu3(HATP)2.
Measurement source: 4 · Results and Discussion · Figures 3, 4, S4-S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Optical band gap of Cu3(HATP)2	Eop = 1.2 eV	1.2 eV	—	Text Rounded Reported	5 · Results and Discussion · Figure 4b
Pristine/HCTP-treated Cu3(HATP)2 TGA residual weight	ca. 22%	0.22 fraction	ca.	Text Approximate	4 · Results and Discussion · Figure S7
EPR Cu2+ signals	g = 2.17 and 2.03	2.17 g value	—	Text Exact Reported	5 · Results and Discussion · Figure 4c,d
EPR organic-radical signal in iGMOF1/[HATP/HCTP]n	g = 2.001	2.001 g value	—	Text Exact Reported	5 · Results and Discussion · Figure 4c,d
Post-synthetic HCTP-treated Cu3(HATP)2 digestion NMR	only HATP signal; no HCTP-Hb signal	—	—	Text Qualitative	4 · Results and Discussion · Figure S5c
FT-IR C=N/CN stretching feature indicating HCTP	C#N stretching signal at 2240 cm-1	2240 cm-1	—	Text Rounded Reported	4 · Results and Discussion · Figure S4
Digested iGMOF1 HATP:HCTP integral ratio	1:1 integral ratio; HATP 7.93 ppm and HCTP 9.44 ppm	1 HATP/HCTP molar ratio	—	Text Exact Reported	4 · Results and Discussion · Figure S5b
Optical band gap of iGMOF1	Eop = 0.8 eV	0.8 eV	—	Text Rounded Reported	5 · Results and Discussion · Figure 4b
iGMOF1 TGA residual weight	ca. 15%	0.15 fraction	ca.	Text Approximate	4 · Results and Discussion · Figure S7
iGMOF1 low-temperature TGA mass loss	ca. 5% weight until 80 deg C	0.05 fraction	ca.	Text Approximate	4 · Results and Discussion · Figure S7
iGMOF1 Cu 2p3/2 XPS peak	Cu-2p3/2 = 932.8 eV	932.8 eV	—	Text Exact Reported	4 · Results and Discussion · Figure 3a
iGMOF1 N 1s HCTP nitrile peak	400.05 eV	400.05 eV	—	Text Exact Reported	4 · Results and Discussion · Figure 3c