Enforcing hemidirectionality in Pb(II) complexes: The importance of anionic ligands
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| Title: | Enforcing hemidirectionality in Pb(II) complexes: The importance of anionic ligands |
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| Authors: | van Severen, M.-C., Piquemal, J.-P. jpp@lct.jussieu.fr, Parisel, O. parisel@lct.jussieu.fr |
| Source: | Chemical Physics Letters. Jun2011, Vol. 510 Issue 1-3, p27-30. 4p. |
| Subjects: | Lead compounds, Metal complexes, Ligands (Chemistry), Density functionals, Solvation, Mathematical continuum, Metal ions |
| Abstract: | Abstract: Using DFT and ELF topological analysis, we study the directionality of the Pb2+ lone pair in the presence of neutral and anionic ligands. Archetypal [PbLn (HL) m ]2− n complexes (n =1–3, m =1–7, L =Cl− or SH−) are investigated in the gas phase or using a solvation continuum. We show that the presence of only one anion within the coordination sphere of Pb2+ induces hemidirectionality for all complexes. Such a finding is important for future toxicology studies if one wants to stabilize Pb2+ valence shell in a hemidirected structure, a key issue in the search for specific chelators of lead. [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: 61257559 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Enforcing hemidirectionality in Pb(II) complexes: The importance of anionic ligands – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22van+Severen%2C+M%2E-C%2E%22">van Severen, M.-C.</searchLink><br /><searchLink fieldCode="AR" term="%22Piquemal%2C+J%2E-P%2E%22">Piquemal, J.-P.</searchLink><i> jpp@lct.jussieu.fr</i><br /><searchLink fieldCode="AR" term="%22Parisel%2C+O%2E%22">Parisel, O.</searchLink><i> parisel@lct.jussieu.fr</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Chemical+Physics+Letters%22">Chemical Physics Letters</searchLink>. Jun2011, Vol. 510 Issue 1-3, p27-30. 4p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Lead+compounds%22">Lead compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Metal+complexes%22">Metal complexes</searchLink><br /><searchLink fieldCode="DE" term="%22Ligands+%28Chemistry%29%22">Ligands (Chemistry)</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functionals%22">Density functionals</searchLink><br /><searchLink fieldCode="DE" term="%22Solvation%22">Solvation</searchLink><br /><searchLink fieldCode="DE" term="%22Mathematical+continuum%22">Mathematical continuum</searchLink><br /><searchLink fieldCode="DE" term="%22Metal+ions%22">Metal ions</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Abstract: Using DFT and ELF topological analysis, we study the directionality of the Pb2+ lone pair in the presence of neutral and anionic ligands. Archetypal [PbLn (HL) m ]2− n complexes (n =1–3, m =1–7, L =Cl− or SH−) are investigated in the gas phase or using a solvation continuum. We show that the presence of only one anion within the coordination sphere of Pb2+ induces hemidirectionality for all complexes. Such a finding is important for future toxicology studies if one wants to stabilize Pb2+ valence shell in a hemidirected structure, a key issue in the search for specific chelators of lead. [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.2011.04.096 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 4 StartPage: 27 Subjects: – SubjectFull: Lead compounds Type: general – SubjectFull: Metal complexes Type: general – SubjectFull: Ligands (Chemistry) Type: general – SubjectFull: Density functionals Type: general – SubjectFull: Solvation Type: general – SubjectFull: Mathematical continuum Type: general – SubjectFull: Metal ions Type: general Titles: – TitleFull: Enforcing hemidirectionality in Pb(II) complexes: The importance of anionic ligands Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: van Severen, M.-C. – PersonEntity: Name: NameFull: Piquemal, J.-P. – PersonEntity: Name: NameFull: Parisel, O. IsPartOfRelationships: – BibEntity: Dates: – D: 24 M: 06 Text: Jun2011 Type: published Y: 2011 Identifiers: – Type: issn-print Value: 00092614 Numbering: – Type: volume Value: 510 – Type: issue Value: 1-3 Titles: – TitleFull: Chemical Physics Letters Type: main |
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