Source:http://linkedlifedata.com/resource/pubmed/id/17269754
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
8
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| pubmed:dateCreated |
2007-2-22
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| pubmed:abstractText |
The incorporation processes of Mn2+ and Co2+ into the framework of aluminophosphate molecular sieve AlPO4-5, at the onset of crystallization, were investigated by in situ synchrotron X-ray absorption spectroscopy (XAS) and density functional theory (DFT) computation. The results indicated that the syntheses of MnAPO-5 and CoAPO-5 were different in the incorporation mechanism of metal ions. For the synthesis of CoAPO-5, Co2+ transferred from an octahedral into tetrahedral structure with crystal formation, while, for MnAPO-5, the Mn2+ transition to the tetrahedral structure was much more difficult and it occurred after the appearance of long-range ordered microporous structure. The DFT computations of model intermediates involved in the synthesis process suggested that much higher transformation energy of [Mn(OP(OH)3)4]2+ than that of [Co(OP(OH)3)4]2+ was responsible for the diversity of the incorporation behaviors.
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| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:status |
PubMed-not-MEDLINE
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| pubmed:month |
Mar
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| pubmed:issn |
1089-5639
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| pubmed:author | |
| pubmed:issnType |
Print
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| pubmed:day |
1
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| pubmed:volume |
111
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| pubmed:owner |
NLM
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| pubmed:authorsComplete |
Y
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| pubmed:pagination |
1515-22
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| pubmed:year |
2007
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| pubmed:articleTitle |
A comparative investigation of Co2+ and Mn2+ incorporation into aluminophosphates by in situ XAS and DFT computation.
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| pubmed:affiliation |
State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001, P. R. China.
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| pubmed:publicationType |
Journal Article
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