Trends in ns2 np0 [M(CO)]q+ complexes: From germanium to element 114 (Uuq)
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| Title: | Trends in ns2 np0 [M(CO)]q+ complexes: From germanium to element 114 (Uuq) |
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| Authors: | Gourlaouen, C.1 cgourlaouen@iciq.es, Parisel, O.2,3, Piquemal, J.-P.2,3 |
| Source: | Chemical Physics Letters. Feb2009, Vol. 469 Issue 1-3, p38-42. 5p. |
| Subjects: | Complex compounds, Germanium compounds, Metal bonding, Ion-ion collisions, Metal ions, Carbon monoxide |
| Abstract: | Abstract: The present contribution reports investigations on the metal-ligand bond lengths and interaction energies in selected carbon monoxide complexes of metal cations sharing the ns2 np0 valence configuration. 1- and 4-component DFT geometry optimizations have been performed for cations ranging from Ge2+ to Uuq2+, the dication of element 114 (Ununquadium). The nature of the bonding has been studied by means of energy decomposition analysis. The magnitude of the relativistic effects is shown to evolve slowly and to become predominant for Uuq for the molecular properties investigated. [Copyright &y& Elsevier] |
| Copyright of Chemical Physics Letters is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 36339839 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Trends in ns<superscript>2</superscript> np<superscript>0</superscript> [M(CO)]<superscript>q+</superscript> complexes: From germanium to element 114 (Uuq) – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Gourlaouen%2C+C%2E%22">Gourlaouen, C.</searchLink><relatesTo>1</relatesTo><i> cgourlaouen@iciq.es</i><br /><searchLink fieldCode="AR" term="%22Parisel%2C+O%2E%22">Parisel, O.</searchLink><relatesTo>2,3</relatesTo><br /><searchLink fieldCode="AR" term="%22Piquemal%2C+J%2E-P%2E%22">Piquemal, J.-P.</searchLink><relatesTo>2,3</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Chemical+Physics+Letters%22">Chemical Physics Letters</searchLink>. Feb2009, Vol. 469 Issue 1-3, p38-42. 5p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Complex+compounds%22">Complex compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Germanium+compounds%22">Germanium compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Metal+bonding%22">Metal bonding</searchLink><br /><searchLink fieldCode="DE" term="%22Ion-ion+collisions%22">Ion-ion collisions</searchLink><br /><searchLink fieldCode="DE" term="%22Metal+ions%22">Metal ions</searchLink><br /><searchLink fieldCode="DE" term="%22Carbon+monoxide%22">Carbon monoxide</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Abstract: The present contribution reports investigations on the metal-ligand bond lengths and interaction energies in selected carbon monoxide complexes of metal cations sharing the ns2 np0 valence configuration. 1- and 4-component DFT geometry optimizations have been performed for cations ranging from Ge2+ to Uuq2+, the dication of element 114 (Ununquadium). The nature of the bonding has been studied by means of energy decomposition analysis. The magnitude of the relativistic effects is shown to evolve slowly and to become predominant for Uuq for the molecular properties investigated. [Copyright &y& Elsevier] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Chemical Physics Letters is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.cplett.2008.12.040 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 5 StartPage: 38 Subjects: – SubjectFull: Complex compounds Type: general – SubjectFull: Germanium compounds Type: general – SubjectFull: Metal bonding Type: general – SubjectFull: Ion-ion collisions Type: general – SubjectFull: Metal ions Type: general – SubjectFull: Carbon monoxide Type: general Titles: – TitleFull: Trends in ns2 np0 [M(CO)]q+ complexes: From germanium to element 114 (Uuq) Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Gourlaouen, C. – PersonEntity: Name: NameFull: Parisel, O. – PersonEntity: Name: NameFull: Piquemal, J.-P. IsPartOfRelationships: – BibEntity: Dates: – D: 03 M: 02 Text: Feb2009 Type: published Y: 2009 Identifiers: – Type: issn-print Value: 00092614 Numbering: – Type: volume Value: 469 – Type: issue Value: 1-3 Titles: – TitleFull: Chemical Physics Letters Type: main |
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