Spectroscopy — Macrocyclic ligand-driven ion selectivity and high surface area in a 2D conductive MOF

7 measurement groups · 16 results

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

Cu-EP-Cs-2 · Powder

Metalated sample; XPS atomic composition and Cs binding energies

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cs atomic percent in Cu-EP-Cs-2Marked as a best value within this paper	0.84 atomic%	—	—	SI Table Exact Reported	S28 · XPS results of metalated samples · Table S7
Cs 3d3/2 binding energy	738 eV	—	—	Text Rounded Reported	205 · Post-synthetic metalation · Figure S27
Cs 3d5/2 binding energy	724 eV	—	—	Text Rounded Reported	205 · Post-synthetic metalation · Figure S27

Cu-EP-Cs-2 · Powder

EDS determined Cs occupancy for Cu-EP-Cs-0.5, Cu-EP-Cs-1 and Cu-EP-Cs-2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cs pocket occupancy in Cu-EP-Cs-0.5Marked as a best value within this paper	~25.2%	—	~	SI Table Approximate	S30 · EDS characterization · Table S8
Cs pocket occupancy in Cu-EP-Cs-1Marked as a best value within this paper	~42.6%	—	~	SI Table Approximate	S30 · EDS characterization · Table S8
Cs pocket occupancy in Cu-EP-Cs-2Marked as a best value within this paper	~51.0%	—	~	SI Table Approximate	S30 · EDS characterization · Table S8

pristine Cu-EP powder · Powder

Solid-phase infrared absorption spectra recorded on Cary 630 ATR FTIR

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
alkyne C-C stretch retained	around 2230 cm^-1	—	—	Text Approximate	203 · Structure characterization of Cu-EP · Figure 2C
O-H stretch disappearance	O-H stretching vibration at 3200-3600 cm^-1 disappears after reaction	—	—	Text Qualitative	202 · Structure characterization of Cu-EP · Figure 2C

Cu-EP-Li-2 · Powder

Metalated sample; XPS atomic composition

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Li atomic percent in Cu-EP-Li-2Marked as a best value within this paper	0 atomic%	—	—	SI Table Exact Reported	S27 · XPS results of metalated samples · Table S6

pristine Cu-EP powder · Powder

Solid-phase spectrum of Cu-EP compared with EP ligand

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
optical band gapMarked as a best value within this paper	0.8 eV	—	—	Text Rounded Reported	203 · Electronic structure characterization · Figure 3A
new near-infrared absorption	800 nm	—	—	Text Rounded Reported	203 · Electronic structure characterization · Figure 3A

pristine Cu-EP powder · Powder

Al K-alpha source; first scan of samples; ultrahigh vacuum base pressure 10^-10 mbar

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu(I) 2p3/2 binding energy	932.3 eV	—	—	Text Exact Reported	203 · Structure characterization of Cu-EP · Figure S21
Cu(II) 2p3/2 binding energy	934.2 eV	—	—	Text Exact Reported	203 · Structure characterization of Cu-EP · Figure S21
O(1s) C=O binding energy	530.9 eV	—	—	Text Exact Reported	203 · Structure characterization of Cu-EP · Figure S21
O(1s) C-O binding energy	532.3 eV	—	—	Text Exact Reported	203 · Structure characterization of Cu-EP · Figure S21

EP ligand model · Model

EP ligand in MeOH/water (20:1 v/v), diluted 10 times; 1 equivalent LiNO3 or CsNO3 added

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
EP-Cs complexation response	EP-Cs complex intensified solution colour and gave stronger absorption at 400 nm; EP-Li showed no colour change	—	—	Text Qualitative	207 · Computational insights into ion selectivity · Figure 5D