Spectroscopy — A new semiconducting coordination polymer consisting of copper(I)-iodide and 3-pyridinecarboxaldehyde

3 measurement groups · 7 results

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

Pelletised 1/MgO mixture for diffuse-reflectance spectroscopy · Pellet

Pelletised mixture containing 1 (0.01 mmol) and MgO powder (80 mg); reflectance converted using f(R) = (1 - R)^2/2R; band gap from (f(R)*E)^1/2 vs E.

Geometry: Pelletised MgO mixture
Context: MgO-diluted measurement matrix for pristine framework
Measurement source: main p.2 / article p.35 · Diffuse-reflectance discussion · Fig. 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Diffuse-reflectance absorption band	around 300 nm; assigned to MLCT	—	around	Text Approximate	main p.2 / article p.35 · Diffuse-reflectance discussion · Fig. 2a
HOMO-LUMO gap from Kubelka-Munk plotMarked as a best value within this paper	Eg = 2.30 eV	—	—	Text Exact Reported	main p.2 / article p.35 · Diffuse-reflectance discussion · Fig. 2b

KBr pellet containing 1 for IR spectroscopy · Pellet

JASCO FT-IR-430 spectrometer using a KBr pellet.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
IR spectrum recorded	IR spectrum of [CuI(3-Py-CHO)]n shown without tabulated peak positions.	—	—	Caption Qualitative	SI p.S5 · Supporting figures · Figure S4

Powdered sample of [CuI(3-Py-CHO)]n · Powder

AXIS-NOVA XPS system; Cu 2p signals compared with CuI and CuII2(CH3COO)4 references.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu 2p3/2 binding energy	932.8 eV	—	—	Caption Exact Reported	Supporting figures · Fig. S1
CuI reference Cu 2p3/2 binding energy	932.8 eV	—	—	Caption Exact Reported	Supporting figures · Fig. S1
Cu(II) acetate reference Cu 2p3/2 binding energy	934.6 eV	—	—	Caption Exact Reported	Supporting figures · Fig. S1
Cu(II)-type satellite peaks	No satellite peaks around 945 eV and 965 eV	—	—	Caption Qualitative	Supporting figures · Fig. S1