Source:http://linkedlifedata.com/resource/pubmed/id/11497962
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
8
|
| pubmed:dateCreated |
2001-8-10
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| pubmed:abstractText |
New experimental structure determinations for molecular adsorbates on NiO(100) reveal much shorter Ni-C and Ni-N bond lengths for adsorbed CO and NH3 as well as NO (2.07, 1.88, 2.07 A) than previously computed theoretical values, with discrepancies up to 0.79 A, highlighting a major weakness of current theoretical descriptions of oxide-molecule bonding. Comparisons with experimentally determined bond lengths of the same species adsorbed atop Ni on metallic Ni(111) show values on the oxide surface that are consistently larger (0.1-0.3 A) than on the metal, indicating somewhat weaker bonding.
|
| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:status |
PubMed-not-MEDLINE
|
| pubmed:month |
Aug
|
| pubmed:issn |
0031-9007
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| pubmed:author | |
| pubmed:issnType |
Print
|
| pubmed:day |
20
|
| pubmed:volume |
87
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| pubmed:owner |
NLM
|
| pubmed:authorsComplete |
Y
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| pubmed:pagination |
086101
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| pubmed:dateRevised |
2003-10-31
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| pubmed:year |
2001
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| pubmed:articleTitle |
Molecular adsorption bond lengths at metal oxide surfaces: failure of current theoretical methods.
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| pubmed:affiliation |
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D14195 Berlin, Germany.
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| pubmed:publicationType |
Journal Article
|