Single-component volumetric gas sorption isotherms and isobars
Activated crystals of compound 1 · Single Crystal
N2, CO2, and O2 sorption; CO2 isotherms/isobars from 195-300 K and 1-100 kPa; sample degassed at 353 K for 12 h.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CO2 uptake at 99 kPa and 195 KMarked as a best value within this paper | 56.51 mL (STP) g-1 for 4.92 molecules per formula unit | 4.92 molecules per formula unit | — | Text Exact Reported | p003 · CO2 Sorption Properties and Related Phase Diagram · Figure 1a |
| CO2 uptake at GO-e | 35.94 mL (STP) g-1, approximately 3 mol per formula unit | 3 mol CO2 per formula unit | approximately for molar equivalent | Text Rounded Reported | p003 · CO2 Sorption Properties and Related Phase Diagram · Figure 1a |
| CO2 ending gate-opening pressure at 195 K | 10.31 kPa | — | — | Text Exact Reported | p003 · CO2 Sorption Properties and Related Phase Diagram · Figure S3 |
| CO2 initial gate-opening pressure at 195 K | 0.63 kPa | — | — | Text Exact Reported | p003 · CO2 Sorption Properties and Related Phase Diagram · Figure 1a; Figure S3 |
| CO2 adsorption/desorption hysteresis width | approximately 400 Pa | 0.4 kPa | approximately | Text Approximate | p003 · CO2 Sorption Properties and Related Phase Diagram · Figure S2a |
| N2 sorption character | nonporous nature for N2 at both 77 and 120 K | — | — | Text Qualitative | p003 · CO2 Sorption Properties and Related Phase Diagram · Figure S1 |
| O2 uptake at 90/120 K and 99 kPa | about 2 mol mol-1 O2 | 2 O2 per formula unit | about | Text Approximate | S37 · Magnetic property under O2 atmosphere · Figure S1 |
| Transition enthalpy from isotherms, GC-e | -41.5 kJ mol-1 | — | — | Text Exact Reported | S9 · Temperature dependence of the gated sorption pressure · Figure S4 |
| Transition enthalpy from isotherms, GC-i | -40.1 kJ mol-1 | — | — | Text Exact Reported | S9 · Temperature dependence of the gated sorption pressure · Figure S4 |
| Transition enthalpy from isotherms, GO-e | -11.9 kJ mol-1 | — | — | Text Exact Reported | S9 · Temperature dependence of the gated sorption pressure · Figure S4 |
| Transition enthalpy from isotherms, GO-i | -30.2 kJ mol-1 | — | — | Text Exact Reported | S9 · Temperature dependence of the gated sorption pressure · Figure S4 |