Physisorption-induced C-H bond elongation in methane
Physisorption of methane to a Pt surface was studied by x-ray absorption spectroscopy in combination with density functional theory spectrum calculations. The experiment shows new electronic states appearing upon physisorption. We find that these states are due to orbital mixing causing charge polar...
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| Veröffentlicht in: | Physical review letters 2006-04, Vol.96 (14), p.146104-146104, Article 146104 |
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| container_end_page | 146104 |
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| container_issue | 14 |
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| container_title | Physical review letters |
| container_volume | 96 |
| creator | Oström, H Ogasawara, H Näslund, L-A Pettersson, L G M Nilsson, A |
| description | Physisorption of methane to a Pt surface was studied by x-ray absorption spectroscopy in combination with density functional theory spectrum calculations. The experiment shows new electronic states appearing upon physisorption. We find that these states are due to orbital mixing causing charge polarization as a means to minimize Pauli repulsion. The results can be explained by elongation of 1 C-H bond by 0.09 A in the physisorbed state even though no covalent chemical bond is formed. |
| doi_str_mv | 10.1103/physrevlett.96.146104 |
| format | Article |
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The experiment shows new electronic states appearing upon physisorption. We find that these states are due to orbital mixing causing charge polarization as a means to minimize Pauli repulsion. 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The experiment shows new electronic states appearing upon physisorption. We find that these states are due to orbital mixing causing charge polarization as a means to minimize Pauli repulsion. The results can be explained by elongation of 1 C-H bond by 0.09 A in the physisorbed state even though no covalent chemical bond is formed.</description><subject>03 NATURAL GAS</subject><subject>ELONGATION</subject><subject>METHANE</subject><subject>Other,OTHER</subject><subject>PHYSICS</subject><issn>0031-9007</issn><issn>1079-7114</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2006</creationdate><recordtype>article</recordtype><recordid>eNpFkNFKwzAUhoMobk4fQak33nWeNE3aXMpQJwwU2X1o01MXaZPZpMLe3owOvDoX5_v_c_gIuaWwpBTY43538AP-dhjCUoolzQWF_IzMKRQyLSjNz8kcgNFUAhQzcuX9NwDQTJSXZEZFQTMKMCf5R-wx3g37YJxNjW1GjU2yStdJ7WyTYOfsV3XcJcYmPYZdZfGaXLRV5_HmNBdk-_K8Xa3Tzfvr2-ppk2omZUgZk7WMj_GSc95KzFkLjWRa57kudFuLDDBjmRaZLMqSYcYlRwQNkgndIFuQ-6nW-WCU1yag3mlnLeqgyljKssg8TMx-cD8j-qB64zV2XXzTjV6JQpY5L2kE-QTqwflorlX7wfTVcFAU1NGoOpr4xN9NNKqkUJPRmLs7HRjrHpv_1Ekh-wOGenOD</recordid><startdate>20060414</startdate><enddate>20060414</enddate><creator>Oström, H</creator><creator>Ogasawara, H</creator><creator>Näslund, L-A</creator><creator>Pettersson, L G M</creator><creator>Nilsson, A</creator><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>OTOTI</scope></search><sort><creationdate>20060414</creationdate><title>Physisorption-induced C-H bond elongation in methane</title><author>Oström, H ; Ogasawara, H ; Näslund, L-A ; Pettersson, L G M ; Nilsson, A</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c399t-339b914658555f9e43f0d93cc44c7cfb620e232c6297883e2595ee0c0936cde3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2006</creationdate><topic>03 NATURAL GAS</topic><topic>ELONGATION</topic><topic>METHANE</topic><topic>Other,OTHER</topic><topic>PHYSICS</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Oström, H</creatorcontrib><creatorcontrib>Ogasawara, H</creatorcontrib><creatorcontrib>Näslund, L-A</creatorcontrib><creatorcontrib>Pettersson, L G M</creatorcontrib><creatorcontrib>Nilsson, A</creatorcontrib><creatorcontrib>Stanford Linear Accelerator Center (SLAC)</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>Physical review letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Oström, H</au><au>Ogasawara, H</au><au>Näslund, L-A</au><au>Pettersson, L G M</au><au>Nilsson, A</au><aucorp>Stanford Linear Accelerator Center (SLAC)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Physisorption-induced C-H bond elongation in methane</atitle><jtitle>Physical review letters</jtitle><addtitle>Phys Rev Lett</addtitle><date>2006-04-14</date><risdate>2006</risdate><volume>96</volume><issue>14</issue><spage>146104</spage><epage>146104</epage><pages>146104-146104</pages><artnum>146104</artnum><issn>0031-9007</issn><eissn>1079-7114</eissn><abstract>Physisorption of methane to a Pt surface was studied by x-ray absorption spectroscopy in combination with density functional theory spectrum calculations. 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| ispartof | Physical review letters, 2006-04, Vol.96 (14), p.146104-146104, Article 146104 |
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| language | eng |
| recordid | cdi_osti_scitechconnect_885532 |
| source | American Physical Society Journals |
| subjects | 03 NATURAL GAS ELONGATION METHANE Other,OTHER PHYSICS |
| title | Physisorption-induced C-H bond elongation in methane |
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