Table 4. Computed binding enthalpies H_B (kJ mol^–1) of first (CO₂, H₂O, N₂, and CO₂–mmen) and second guest molecules (CO₂, H₂O, and N₂) in M₂(dobpdc) and mmen–M₂(dobpdc) (M = Mg, Mn, Fe, Co, Zn).

	First guest	H B	Second guest	H B
Mg	H2O	62.6	H2O	39.4
			CO2	25.3
			N2	16.0
	CO2	38.5
	N2	27.3
			H2O	40.9
	CO2–mmen–Mg	597.0	CO2	26.3
			N2	11.2
Mn	H2O	54.6	H2O	42.9
			CO2	26.6
			N2	18.0
	CO2	34.7
	N2	23.6
			H2O	43.3
	CO2–mmen–Mn	582.2	CO2	29.4
			N2	14.6
Fe	H2O	53.9	H2O	42.8
			CO2	20.3
			N2	11.5
	CO2	35.6
	N2	24.6
			H2O	40.1
	CO2–mmen–Fe	588.4	CO2	25.3
			N2	9.5
Co	H2O	53.0	H2O	38.7
			CO2	23.8
			N2	10.9
	CO2	34.9
	N2	22.4
			H2O	39.5
	CO2–mmen–Co	570.3	CO2	25.7
			N2	10.6
Zn	H2O	44.2	H2O	38.6
			CO2	23.2
			N2	16.7
	CO2	29.3
	N2	18.6
			H2O	40.5
	CO2–mmen–Zn	562.1	CO2	23.7
			N2	8.2