Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal鈥揙rganic Framework MIL-101

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• 作者：Petra 脕gota Szil谩gyi ; Ingrid Weinrauch ; Hyunchul Oh ; Michael Hirscher ; Jana Juan-Alca帽iz ; Pablo Serra-Crespo ; Moreno de Respinis ; Bartek Jacek Trze艣niewski ; Freek Kapteijn ; Hans Geerlings ; Jorge Gascon ; Bernard Dam ; Anna Grzech ; Roel van de Krol ; Hans Geerlings
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：August 28, 2014
• 年：2014
• 卷：118
• 期：34
• 页码：19572-19579
• 全文大小：287K
• ISSN：1932-7455

文摘

Functionalization of metal鈥搊rganic frameworks results in higher hydrogen uptakes owing to stronger hydrogen鈥揾ost interactions. However, it has not been studied whether a given functional group acts on existing adsorption sites (linker or metal) or introduces new ones. In this work, the effect of two types of functional groups on MIL-101 (Cr) is analyzed. Thermal-desorption spectroscopy reveals that the 鈭払r ligand increases the secondary building unit鈥檚 hydrogen affinity, while the 鈭扤H₂ functional group introduces new hydrogen adsorption sites. In addition, a subsequent introduction of 鈭払r and 鈭扤H₂ ligands on the linker results in the highest hydrogen-store interaction energy on the cationic nodes. The latter is attributed to a push-and-pull effect of the linkers.