Summary
In this study, the concept of biomass-based direct air capture is proposed, and the aminoguanidine CO
2
chemical sorbent 2,5-furan-bis(iminoguanidine) (FuBIG) was designed, synthesized, and elucidated for the physicochemical properties in the process of CO
2
capture and release. Results showed that the aqueous solution of FuBIG could readily capture CO
2
from ambient air and provided an insoluble tetrahydrated carbonate salt FuBIGH
2
(CO
3
) (H
2
O)
4
with a second order kinetics. Hydrogen binding modes of iminoguanidine cations with carbonate ions and water were identified by single-crystal X-ray diffraction analysis. Equilibrium constant (K) and the enthalpies (ΔH) for CO
2
absorption/release were obtained by thermodynamic and kinetic analysis (K
7
= 5.97 × 10
4
, ΔH
7
= −116.1 kJ/mol, ΔH
8
= 209.31 kJ/mol), and the CO
2
-release process was conformed to the geometrical phase-boundary model (1-(1-α)
1/3
= kt). It was found that the FuBIGH
2
(CO
3
) (H
2
O)
4
can release CO
2
spontaneously in DMSO without heating. Zebrafish models revealed a favorable biocompatibility of FuBIG.