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Molecular insights into the roles of amine functionalization and cooperative CO2 interactions into enhancing (and diminishing) CO2 binding by metal-organic frameworks are shown both experimentally and computationally. Contrary to popular thinking, higher amination decreases CO2 binding in this system. This loss is compensated by cooperativity between CO2 triads that enhances binding by over 7 kJ mol−1.
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Vaidhyanathan et al. (2011) studied this question.
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