![]() ![]() Nonetheless, the application of compartmentalization and its quantitative analysis in non-biochemical reactions is seldom performed, leaving much uncertainty about whether compartmentalization remains effective for non-biochemical reactions, such as organometallic, cascade reactions. In biochemistry or enzyme-relevant cascade reactions, extensive models have been constructed to quantitatively analyze the efficacy of compartmentalization. The conclusions from this work are generally applicable to other catalytic systems that need proper design guidance in confinement and compartmentalization.Ĭompartmentalization is a viable approach for ensuring the turnover of a solution cascade reaction with ephemeral intermediates, which may otherwise deactivate in the bulk solution. This work provides justification and design principles for further exploration into compartmentalizing organometallics to enhance catalytic performance. ![]() As illustrated in specific reaction examples, our model suggests that a tailored compartment design, including the use of nanomaterials, is needed to suit a specific organometallic catalytic cycle. Optimal values of F V for a specific organometallic chemistry are needed to achieve maximal values of γ and TOF. The key parameter in the model is the volumetric diffusive conductance (F V) that describes catalysts' diffusion propensity across a compartment's boundary. In comparison to a non-compartmentalized catalysis, compartmentalization is quantitatively shown to prevent the unwanted intermediate deactivation, boost the corresponding reaction efficiency (γ), and subsequently increase catalytic turnover frequency (TOF). Herein, we report a general kinetic model and offer design guidance for a compartmentalized organometallic catalytic cycle. However, the scarcity of theoretical frameworks towards confined organometallic chemistry impedes broader utility for the implementation of compartmentalization. Such a concept has been well explored in biochemical and more recently, organometallic catalysis to ensure high reaction turnovers with minimal side reactions. Compartmentalization is an attractive approach to enhance catalytic activity by retaining reactive intermediates and mitigating deactivating pathways. ![]()
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