We are interested in the design and development of rubisco-based biomimetic systems for reversible CO2 capture from air. In this presentation, we review the enzyme mechanism of rubisco-based biological CO2 fixation, we identify the carbamoylation reaction of the activator CO2 in the active site of rubisco as a promising candidate for the development of a chemical CO2 capture and release system, we discuss the construction of several small molecule models {CO2, CH3NH2, (aldehyde/ketone), magnesium formate} and describe the equations for their thermochemical assessment, and we present the results of computational studies of small molecule models to assess the thermochemistry of the carbamoylation reaction. The Mg2+-catalyzed formation of carbonyl-aggregates of N-methylcarbaminic acid (NMCA) is rather exergonic and it is only for the thermochemistry of the water/CO2 ligand exchange reaction that the reversal of NMCA formation becomes possible. The thermochemistry of the CO2 capture reaction is discussed (?H(T1) < ?G(T1) < 0) and the condition for CO2 release by temperature variations (?T�|?S(T1)| > |?G(T1)|) emphasizes the need to develop CO2 capture reactions with negative reaction entropies ?S(T1) of substantial magnitude (|?S(T1)| of about 80 - 60 cal mol-1 K-1).

Biomimetic approaches to reversible CO<sub>2</sub> capture from air: <i>N</i>-methylcarbaminic acid formation in Rubisco-inspired models

246th National Meeting (2013)

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Biomimetic approaches to reversible CO2 capture from air: N-methylcarbaminic acid formation in Rubisco-inspired models

Biomimetic approaches to reversible CO₂ capture from air: N-methylcarbaminic acid formation in Rubisco-inspired models