Computational Study of Hydrogen Chemisorption on a Multi‐Phenyl Organic Linker as a Model of Hydrogen Spillover on Metal‐Organic Frameworks#. (20th February 2015)

• Record Type: Journal Article
• Authors: Choi, Sunghwan; Jeong, Kyeong‐jun; Park, Ji Young; Lee, Yoon Sup
• Is Part Of: Bulletin of the Korean Chemical Society. Volume 36:Number 3(2015:Mar.)
• Page Start: 777
• Page End: 783
• Publication Date: 2015-02-20
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1002/bkcs.10142
• Languages: English
• ISSNs: 0253-2964

Abstract

<abstract abstract-type="graphical" id="bkcs10142-abs-0001"> <title> <x xml:space="preserve">Abstract</x> </title> <p id="bkcs10142-para-0001">Hydrogenation is greatly facilitated by a positive charge (left) on the multi‐phenyl linker. Hydration of the third phenyl ring is most likely when the two other phenyl rings are fully hydrogenated.<boxed-text content-type="graphic" id="bkcs10142-blkfxd-0001" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgj8n16414" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>