https://scholars.lib.ntu.edu.tw/handle/123456789/611524
DC 欄位 | 值 | 語言 |
---|---|---|
dc.contributor.author | Planas N. | en_US |
dc.contributor.author | Dzubak A.L. | en_US |
dc.contributor.author | Poloni R. | en_US |
dc.contributor.author | Lin L.-C. | en_US |
dc.contributor.author | McManus A. | en_US |
dc.contributor.author | McDonald T.M. | en_US |
dc.contributor.author | Neaton J.B. | en_US |
dc.contributor.author | Long J.R. | en_US |
dc.contributor.author | Smit B. | en_US |
dc.contributor.author | Gagliardi L. | en_US |
dc.contributor.author | LI-CHIANG LIN | en_US |
dc.creator | Planas N.;Dzubak A.L.;Poloni R.;Lin L.-C.;McManus A.;McDonald T.M.;Neaton J.B.;Long J.R.;Smit B.;Gagliardi L. | - |
dc.date.accessioned | 2022-05-24T06:10:53Z | - |
dc.date.available | 2022-05-24T06:10:53Z | - |
dc.date.issued | 2013 | - |
dc.identifier.uri | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84878224709&doi=10.1021%2fja4004766&partnerID=40&md5=d4f1240f7f80e0a2212eb8b672636c9e | - |
dc.identifier.uri | https://scholars.lib.ntu.edu.tw/handle/123456789/611524 | - |
dc.description.abstract | The mechanism of CO2 adsorption in the amine-functionalized metal-organic framework mmen-Mg2(dobpdc) (dobpdc4- = 4,4′-dioxidobiphenyl-3,3′-dicarboxylate; mmen = N,N′- dimethylethylenediamine) was characterized by quantum-chemical calculations. The material was calculated to demonstrate 2:2 amine:CO2 stoichiometry with a higher capacity and weaker CO2 binding energy than for the 2:1 stoichiometry observed in most amine-functionalized adsorbents. We explain this behavior in the form of a hydrogen-bonded complex involving two carbamic acid moieties resulting from the adsorption of CO2 onto the secondary amines. ? 2013 American Chemical Society. | - |
dc.relation.ispartof | Journal of the American Chemical Society | - |
dc.subject | Carbamic acid | - |
dc.subject | Carbon dioxide adsorption | - |
dc.subject | Hydrogen-bonded complexes | - |
dc.subject | Metal organic framework | - |
dc.subject | Quantum-chemical calculation | - |
dc.subject | Secondary amines | - |
dc.subject | Binding energy | - |
dc.subject | Carboxylation | - |
dc.subject | Crystalline materials | - |
dc.subject | Gas adsorption | - |
dc.subject | Hydrogen bonds | - |
dc.subject | Magnesium | - |
dc.subject | Organic acids | - |
dc.subject | Quantum chemistry | - |
dc.subject | Stoichiometry | - |
dc.subject | Carbon dioxide | - |
dc.subject | amine | - |
dc.subject | carbamic acid | - |
dc.subject | carbon dioxide | - |
dc.subject | dicarboxylic acid | - |
dc.subject | metal organic framework | - |
dc.subject | adsorption | - |
dc.subject | article | - |
dc.subject | hydrogen bond | - |
dc.subject | molecular mechanics | - |
dc.subject | quantum chemistry | - |
dc.subject | stoichiometry | - |
dc.subject | Adsorption | - |
dc.subject | Amines | - |
dc.subject | Carbon Dioxide | - |
dc.subject | Models, Molecular | - |
dc.subject | Molecular Conformation | - |
dc.subject | Organometallic Compounds | - |
dc.subject | Surface Properties | - |
dc.title | The mechanism of carbon dioxide adsorption in an alkylamine-functionalized metal-organic framework | en_US |
dc.type | journal article | en |
dc.identifier.doi | 10.1021/ja4004766 | - |
dc.identifier.scopus | 2-s2.0-84878224709 | - |
dc.relation.pages | 7402-7405 | - |
dc.relation.journalvolume | 135 | - |
dc.relation.journalissue | 20 | - |
item.cerifentitytype | Publications | - |
item.fulltext | no fulltext | - |
item.openairecristype | http://purl.org/coar/resource_type/c_6501 | - |
item.openairetype | journal article | - |
item.grantfulltext | none | - |
crisitem.author.dept | Chemical Engineering | - |
crisitem.author.parentorg | College of Engineering | - |
顯示於: | 化學工程學系 |
在 IR 系統中的文件,除了特別指名其著作權條款之外,均受到著作權保護,並且保留所有的權利。