Spectroscopy — Near IR Bandgap Semiconducting 2D Conjugated Metal-Organic Framework with Rhombic Lattice and High Mobility

5 measurement groups · 22 results

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

Cu2(OHPTP) bulk powder · Powder

EPR on Bruker 500; SQUID magnetometer with 100 Oe and 1 T options; magnetic moment measured at 15 kOe.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
EPR g factorMarked as a best value within this paper	g = 2.122	—	—	Text Exact Reported	12 · Section H · Figure S5
Curie-Weiss theta	theta = -1.98 K	-1.98 K	—	Text Exact Reported	4 · Results and Discussion · Figure S6

Cu2(OHPTP) bulk powder · Powder

FT-IR ATR; Raman with Nd-YAG 1064 nm, 400 mW, 400-4000 cm-1 range.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
OH stretching vibration disappearance	OH stretching vibration at around 3500-3000 cm-1 disappears	—	—	Text Range	3 · Results and Discussion · Figure S2a
Raman D-like band	broad band at 1350 to 1400 cm-1	—	—	Text Range	3 · Results and Discussion · Figure S2b
Raman G-like band	1575 cm-1	—	—	Text Rounded Reported	3 · Results and Discussion · Figure S2b

Thin layer of Cu2(OHPTP) on gold-coated SiO2 · Thin Film

UPS on thin Cu2(OHPTP) layer on gold-coated SiO2; 5 V bias mentioned in main text.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
UPS p-type doping indication	electronic states close to the Fermi level; strong p-type doping suggested	—	—	Qualitative Qualitative	7 · Results and Discussion · Figure 4b / Figure S11

Cu2(OHPTP) film on quartz glass · Thin Film

Agilent Cary 5000 UV-VIS-NIR with integration sphere; film on quartz slide at room temperature.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
optical indirect band gapMarked as a best value within this paper	~0.5 eV	0.5 eV	—	Text Approximate	7 · Results and Discussion · Figure S10
NIR absorption band	1350 nm	1350 nm	—	Text Rounded Reported	7 · Results and Discussion · Figure 4a
UV-vis absorption band	320 nm	320 nm	—	Text Rounded Reported	7 · Results and Discussion · Figure 4a
UV-vis absorption band	620 nm	620 nm	—	Text Rounded Reported	7 · Results and Discussion · Figure 4a

Cu2(OHPTP) bulk powder · Powder

AXIS Ultra DLD XPS calibrated to graphitic C1s 284.6 eV; ICP-OES after nitric-acid digestion; EA for C/H.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu/C ratio expected	0.35	—	—	Text Exact Reported	3 · Results and Discussion · Table S1
Cu/C ratio measuredMarked as a best value within this paper	0.37	—	—	Text Exact Reported	3 · Results and Discussion · Table S1
elemental-analysis carbon measuredMarked as a best value within this paper	52.58 %	—	—	SI Table Exact Reported	10 · Section F · Table S1
ICP-OES Cu measuredMarked as a best value within this paper	19.27 %	—	—	SI Table Exact Reported	10 · Section F · Table S1
ICP-OES Cu theory	20.32 %	—	—	SI Table Exact Reported	10 · Section F · Table S1
elemental-analysis hydrogen measuredMarked as a best value within this paper	2.15 %	—	—	SI Table Exact Reported	10 · Section F · Table S1
C 1s C=C peak	284.7 eV	—	—	Text Exact Reported	3 · Results and Discussion · Figure S3d
C 1s C-O peak	286.2 eV	—	—	Text Exact Reported	3 · Results and Discussion · Figure S3d
C 1s C=O peak	288.6 eV	—	—	Text Exact Reported	3 · Results and Discussion · Figure S3d
Cu 2p Cu(II) binding energy	934.6 eV	—	—	Text Exact Reported	3 · Results and Discussion · Figure S3b
O 1s semiquinone peak 1	531.7 eV	—	—	Text Exact Reported	3 · Results and Discussion · Figure S3c
O 1s semiquinone peak 2	533.2 eV	—	—	Text Exact Reported	3 · Results and Discussion · Figure S3c