Table 3. ΔH_ads (298 K) on Functionalized STAM-17-OEt Obtained from DFT Calculations.

		functionalized
gas molecule	linker substitution	ΔHads (kJ/mol)
C2H2	NH2–R2	–146.12
C2H4	NH2–R2	–92.85
C2H6	NH2–R2	–102.01
C3H6	NH2–R2	–152.38
C3H8	NH2–R2	–103.89
C4H4S	NH2–R2	–136.65
C6H6	NH2–R2	–130.75
CH4	NH2–R2	–106.45
Cl2	NH2–R2	–112.84
CO	NH2–R2	–107.26
CO2	NH2–R2	–114.98
H2	NH2–R2	–102.35
H2O	NH2–R2	–150.25
H2S	NH2–R2	–134.22
H2Se	NH2–R2	–134.21
HCN	CN–R2, 4, 6	–72.06
N2	NH2–R2	–126.33
NH3	NH2–R2	–173.90
NO2	NH2–R2	21.88
O2	NH2–R2	–144.38
SO2	NH2–R2	–123.63