Raman spectroscopy, FT-IR, XPS and elemental analysis
Infrared spectroscopyRaman spectroscopyX-ray photoelectron spectroscopyBulk elemental and compositional analysis
as-synthesised Cu4DHTTB crystals/powder · Powder
Raman 120-4000 cm-1 at 298 K with 4 cm-1 resolution and 256 scans; XPS with Al K alpha source; CHN plus ICP-OES for composition.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| C-O bond length in Cu4DHTTB | about 1.24 A, shorter than DHTTB ligand 1.37 A | — | — | Text Approximate | 2433 · Results and Discussion · Figure S3 |
| found carbon weight percentage | C found 14.71% (calculated 14.81%) | — | — | Text Exact Reported | SI p. 3 · Component characterization and analysis |
| found copper weight percentage | Cu found 51.74% (calculated 52.25%) | — | — | Text Exact Reported | SI p. 3 · Component characterization and analysis |
| copper oxidation state assignment | Cu(I), +1 | — | — | Text Exact Reported | 2433 · Results and Discussion · Figure S8 |
| framework formula assignment | [Cu4(C6S4O2)]n | — | — | Text Exact Reported | 2433 · Results and Discussion |
| thiol and hydroxyl Raman peaks after framework formation | S-H and O-H peaks disappeared completely in Cu4DHTTB | — | — | Text Qualitative | SI p. 4 · Raman spectroscopic characterization · Figure S5 |
| DHTTB O-H Raman stretching peak | 3350 cm-1 | — | — | Text Exact Reported | SI p. 4 · Raman spectroscopic characterization · Figure S5 |
| DHTTB S-H Raman stretching peak | about 2550 cm-1 | — | — | Text Approximate | SI p. 4 · Raman spectroscopic characterization · Figure S5 |