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High\u2010throughput methods are employed to determine appropriate reaction conditions. 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The following temperature program was used: heating to 200\u2009\u00b0C over 3\u2005h holding the temperature for 5\u2005h cooling to room temperature over 3\u2005h. The reaction product MIL\u2010101_NDC\u2010as (as=as synthesized) was activated three times by treating with EtOH (10\u2005mL) at 160\u2009\u00b0C for 30\u2005min under microwave heating. This treatment led to an increase in the specific surface area (see the Supporting Information). Thermogravimetric analysis in air revealed that MIL\u2010101_NDC is stable up to 260\u2009\u00b0C."},{"key":"e_1_2_2_43_2","unstructured":"All molecular simulations were carried out with software packageMaterials StudioVersion 4.3 Accelrys Inc. San Diego CA 2008. For details see the Supporting Information."},{"key":"e_1_2_2_44_2","unstructured":"Available athttp:\/\/www.iza\u2010structure.org\/databases\/."},{"key":"e_1_2_2_45_2","unstructured":"IR and Raman spectroscopy gave no information on the existence of aliphatic C\uf8ffH vibrations. 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