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Park, Noejung
Computational Physics & Electronic Structure Lab.
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Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal-Organic Frameworks

Author(s)
Jeong, SeokKim, DongwookSong, XiaokaiChoi, MinPark, NoejungLah, Myoung Soo
Issued Date
2013-04
DOI
10.1021/cm303624p
URI
https://scholarworks.unist.ac.kr/handle/201301/3279
Fulltext
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84875970567
Citation
CHEMISTRY OF MATERIALS, v.25, no.7, pp.1047 - 1054
Abstract
Metal-organic frameworks, [Ni(HBTC) (dabco)] (2) and [Ni-2(HBTC)(2)(bipy)(0.6)(dabco)(1.4)] (3) (where H3BTC is 1,3,5-benzenetricarboxylic acid, dabco is 1,4-diazabicyclo[2.2.2]octane, and bipy is 4,4'-bipyridine), were prepared via postsynthetic ligand exchanges of [Ni(HBTC)(bipy)] (1). By controlling the concentration of dabco, we could obtain not only entropically favorable 2 with completely exchanged dabco but also enthalpically favorable 3 with selectively exchanged bipy/dabco in the alternating layers.
Publisher
AMER CHEMICAL SOC
ISSN
0897-4756
Keyword (Author)
metal-organic frameworks (MOFs)postsynthetic modification (PSM)postsynthetic ligand exchange (PSLE)enthalpically favorable exchangeentropically favorable exchangegas sorptionadsorption enthalpy
Keyword
TOTAL-ENERGY CALCULATIONSWAVE BASIS-SETHYDROGEN STORAGEION-EXCHANGEFUNCTIONALIZATIONCONSTRUCTIONSORPTION

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