Spectroscopy — Selenium-Substitution Strategy for Enhanced Mobility, Tunable Bandgap, and Improved Electrochemical Energy Storage in Semiconducting Conjugated Coordination Polymers

4 measurement groups · 12 results

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

Ag4TSHQ powder · Powder

Compared Ag4TSHQ and TSHQ FT-IR spectra.

Context: pristine framework powder
Measurement source: 3 · Synthesis and Structural Characterization of Ag4TSHQ · Figure S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
O-H stretching retained	3274 cm-1	—	—	Text Exact Reported	3 · Synthesis and Structural Characterization of Ag4TSHQ · Figure S2
Se-H stretching disappearance	signal at 2269 cm-1 disappeared after Ag coordination	—	—	Text Exact Reported	3 · Synthesis and Structural Characterization of Ag4TSHQ · Figure S2
Se-Se Raman peak in Ag4TSHQ	230 cm-1	—	—	Caption Exact Reported	12 · Supporting figures and tables · Figure S5
Se-Se Raman peak in TSHQ exposed to air	253 cm-1	—	—	Caption Exact Reported	12 · Supporting figures and tables · Figure S5

Ag4TSHQ powder · Powder

Lambda 1050+ with integrating sphere.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
optical band gapMarked as a best value within this paper	0.6 eV	—	—	Text Rounded Reported	4 · Electronic Structure Characterization · Figure 3a

Ag4TSHQ powder · Powder

Kratos AXIS Ultra-DLD; monochromatic Al K-alpha source 1486.6 eV.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ag1 3d5/2 binding energy	367.8 eV	—	—	Text Exact Reported	4 · Electronic Structure Characterization · Figure S4
Ag2 3d5/2 binding energy	368.1 eV	—	—	Text Exact Reported	4 · Electronic Structure Characterization · Figure S4

Ag4TXHQ-1:1 powder · Powder

Optical band gaps read from Figure S8 labels and Figure 4c.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ag4TXHQ-11:1 optical band gap	1.41 eV	—	—	Figure Axis Rounded Reported	14 · Supporting figures and tables · Figure S8
Ag4TXHQ-1:1 optical band gap	0.63 eV	—	—	Figure Axis Rounded Reported	14 · Supporting figures and tables · Figure S8
Ag4TXHQ-3:1 optical band gap	1.14 eV	—	—	Figure Axis Rounded Reported	14 · Supporting figures and tables · Figure S8
Ag4TXHQ-7:1 optical band gap	1.38 eV	—	—	Figure Axis Rounded Reported	14 · Supporting figures and tables · Figure S8
mixed-ligand optical band-gap tuning range	0.6 eV to 1.5 eV	—	—	Text Range	5 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 4c