Activation of Methane and Carbon Dioxide Mediated by Transition-Metal Doped Magnesium Oxide Clusters [MMgO]+/0/− (M=Sc-Zn)
Mission: impossible? DFT calculations show that the trends in the thermochemistry are very different for the activation of CO2 and CH4 mediated by transition‐metal doped magnesium oxide clusters [MMgO]+/0/− (M=Sc–Zn). Thus, seeking a “simple” reagent to simultaneously mediate activation and coupling...
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| Veröffentlicht in: | Chemistry : a European journal 2015-05, Vol.21 (21), p.7780-7789 |
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| container_end_page | 7789 |
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| container_issue | 21 |
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| container_title | Chemistry : a European journal |
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| creator | Li, Jilai González-Navarrete, Patricio Schlangen, Maria Schwarz, Helmut |
| description | Mission: impossible? DFT calculations show that the trends in the thermochemistry are very different for the activation of CO2 and CH4 mediated by transition‐metal doped magnesium oxide clusters [MMgO]+/0/− (M=Sc–Zn). Thus, seeking a “simple” reagent to simultaneously mediate activation and coupling of CH4 and CO2 with high efficiency seems extremely daunting, if not impossible. |
| doi_str_mv | 10.1002/chem.201500715 |
| format | Article |
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DFT calculations show that the trends in the thermochemistry are very different for the activation of CO2 and CH4 mediated by transition‐metal doped magnesium oxide clusters [MMgO]+/0/− (M=Sc–Zn). Thus, seeking a “simple” reagent to simultaneously mediate activation and coupling of CH4 and CO2 with high efficiency seems extremely daunting, if not impossible.</description><identifier>ISSN: 0947-6539</identifier><identifier>EISSN: 1521-3765</identifier><identifier>DOI: 10.1002/chem.201500715</identifier><identifier>CODEN: CEUJED</identifier><language>eng</language><publisher>Weinheim: WILEY-VCH Verlag</publisher><subject>carbon dioxide ; Chemistry ; computational chemistry ; kinetics ; methane ; thermodynamics</subject><ispartof>Chemistry : a European journal, 2015-05, Vol.21 (21), p.7780-7789</ispartof><rights>2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim</rights><rights>2015 WILEY-VCH Verlag GmbH & Co. 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Eur. J</addtitle><description>Mission: impossible? DFT calculations show that the trends in the thermochemistry are very different for the activation of CO2 and CH4 mediated by transition‐metal doped magnesium oxide clusters [MMgO]+/0/− (M=Sc–Zn). Thus, seeking a “simple” reagent to simultaneously mediate activation and coupling of CH4 and CO2 with high efficiency seems extremely daunting, if not impossible.</description><subject>carbon dioxide</subject><subject>Chemistry</subject><subject>computational chemistry</subject><subject>kinetics</subject><subject>methane</subject><subject>thermodynamics</subject><issn>0947-6539</issn><issn>1521-3765</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><recordid>eNqFkMFO20AQhleISgTaa88r9VKEnOzaXtt74IAMJUhxUqmgIqpqNfbOwkJih12nJBIPwJlH5EnqNBXixmmk-b9vRvoJ-cxZnzMWDqobnPVDxgVjKRdbpMdFyIMoTcQ26TEZp0EiIrlDdr2_ZYzJJIp65PGoau0faG1T08bQAtsbqJFCrWkOruy2x7ZZWo1dpC20qGm5oucOam_XUtAZMKXHzbxLCriu0dvFjE7-Kfl04Vt0nv4qiuvJ74MBG7w8PdOvxeGPKriq9z-SDwamHj_9n3vk4tvJeT4MRpPTs_xoFFSRDEWQxFpDiWEK0kgAo7EMI4mAcZVpnpU6hjgMY8MQuTBlBogmEVyUWWZQdOwe-bK5O3fN_QJ9q26bhau7l4onqeRJlrI11d9QlWu8d2jU3NkZuJXiTK0bVuuG1WvDnSA3woOd4uodWuXDk-KtG2xc2zW0fHXB3akkjVKhfo5P1fjyciS-Z2N1Ff0F6_qQWA</recordid><startdate>20150518</startdate><enddate>20150518</enddate><creator>Li, Jilai</creator><creator>González-Navarrete, Patricio</creator><creator>Schlangen, Maria</creator><creator>Schwarz, Helmut</creator><general>WILEY-VCH Verlag</general><general>WILEY‐VCH Verlag</general><general>Wiley Subscription Services, Inc</general><scope>BSCLL</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>K9.</scope></search><sort><creationdate>20150518</creationdate><title>Activation of Methane and Carbon Dioxide Mediated by Transition-Metal Doped Magnesium Oxide Clusters [MMgO]+/0/− (M=Sc-Zn)</title><author>Li, Jilai ; González-Navarrete, Patricio ; Schlangen, Maria ; Schwarz, Helmut</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3925-64ddabe27a9f9aafdeb239eae4c8d18bd4a4224f0ee15fb8aeef6515b88fe5b23</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>carbon dioxide</topic><topic>Chemistry</topic><topic>computational chemistry</topic><topic>kinetics</topic><topic>methane</topic><topic>thermodynamics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Li, Jilai</creatorcontrib><creatorcontrib>González-Navarrete, Patricio</creatorcontrib><creatorcontrib>Schlangen, Maria</creatorcontrib><creatorcontrib>Schwarz, Helmut</creatorcontrib><collection>Istex</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>ProQuest Health & Medical Complete (Alumni)</collection><jtitle>Chemistry : a European journal</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Li, Jilai</au><au>González-Navarrete, Patricio</au><au>Schlangen, Maria</au><au>Schwarz, Helmut</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Activation of Methane and Carbon Dioxide Mediated by Transition-Metal Doped Magnesium Oxide Clusters [MMgO]+/0/− (M=Sc-Zn)</atitle><jtitle>Chemistry : a European journal</jtitle><addtitle>Chem. 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| language | eng |
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| source | Access via Wiley Online Library |
| subjects | carbon dioxide Chemistry computational chemistry kinetics methane thermodynamics |
| title | Activation of Methane and Carbon Dioxide Mediated by Transition-Metal Doped Magnesium Oxide Clusters [MMgO]+/0/− (M=Sc-Zn) |
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