Spectroscopy — A conducting coordination polymer based on assembled Cu9 cages

5 measurement groups · 12 results

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

Electrospray ionisation mass spectrometry of reaction dissolutions

compound 1 yellow crystals · Single Crystal

All dissolutions were examined by ESI-MS to support the proposed bond-cleavage/recombination mechanism.

Context: reaction mixture/solution species from compound 1 and 2 synthesis
Measurement source: main p.3, article p.9130 · main text

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ESI-MS peak assigned to monoprotonated 2-dps	m/z 189.05	—	—	Text Exact Reported	main p.3, article p.9130 · main text
ESI-MS peak attributed to deprotonated 2,2'-bipy	m/z 158.01	—	—	Text Exact Reported	main p.3, article p.9130 · main text
ESI-MS peak attributed to deprotonated 2-dpds	m/z 221.02	—	—	Text Exact Reported	main p.3, article p.9130 · main text

Solid-state photoluminescence spectroscopy

Photoluminescence and fluorescence spectroscopy

compound 1 yellow crystals · Single Crystal

Emission spectra of solid compound 1 under photoexcitation at 350 nm in main text; SI methods state JASCO FP-6500 with diode laser emission at 355 nm and sample holder for powders at 298 K.

Temperature: 298
Geometry: solid sample holder for powders
Context: pristine framework
Measurement source: main p.3, article p.9130 · main text · Figure SI-3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
compound 1 emission maximum	600 nm upon photoexcitation at 350 nm	—	—	Text Exact Reported	main p.3, article p.9130 · main text · Figure SI-3

Solid-state photoluminescence spectroscopy

Photoluminescence and fluorescence spectroscopy

free 2-dpds ligand solid · Powder

Emission spectrum of solid free 2-dpds ligand under 350 nm excitation, used as reference for compound 1.

Temperature: 298
Geometry: solid sample holder for powders
Context: reference molecular ligand
Measurement source: main p.3, article p.9130 · main text · Figure SI-3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
2-dpds ligand emission maximum	609 nm upon photoexcitation at 350 nm	—	—	Text Exact Reported	main p.3, article p.9130 · main text · Figure SI-3

Diffuse reflectance UV-visible spectroscopy

UV-visible and optical absorption spectroscopy

compound 1 yellow crystals · Single Crystal

Solid-state UV-vis absorption spectrum measured on compound 1.

Context: pristine framework
Measurement source: main p.3, article p.9130 · main text

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
compound 1 visible absorption	little absorption in the visible range	—	—	Qualitative Qualitative	main p.3, article p.9130 · main text

X-ray photoelectron spectroscopy (VG Escalab 200 R)

X-ray photoelectron spectroscopy

compound 1 powder pellet for XPS · Pellet

Measured at 298 K under UHV around 10-8 Pa with nonmonochromatized Mg Kalpha source at 10 kV and 10 mA; C 1s binding energy used as internal standard.

Temperature: 298
Atmosphere: UHV, 10-8 Pa range
Geometry: pressed powder pellet
Context: pristine framework
Measurement source: SI p.S-1 and S-6 · Materials and Methods · Figure SI-1; Tables SI-1 and SI-2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu 2p1/2 binding energy	952.4 eV	—	—	Text Exact Reported	main p.3, article p.9130 · main text · Figure SI-1
Cu 2p3/2 binding energy	932.6 eV	—	—	SI Table Exact Reported	SI p.S-6 · Table SI-1 · Table SI-1
N 1s binding energy	400.8 eV	—	—	SI Table Exact Reported	SI p.S-6 · Table SI-1 · Table SI-1
S 2p binding energy	163.0 eV	—	—	SI Table Exact Reported	SI p.S-6 · Table SI-1 · Table SI-1
XPS surface atomic ratio N/Cu	N/Cu at 1.18	—	—	SI Table Exact Reported	SI p.S-6 · Table SI-2 · Table SI-2
XPS surface atomic ratio S/Cu	S/Cu at 1.67	—	—	SI Table Exact Reported	SI p.S-6 · Table SI-2 · Table SI-2