| Halogenoids as ligands in superhalogen anions. | |
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MedLine Citation:
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PMID: 19788168 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
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The superhalogen compounds are of great importance in chemistry due to their enormously high electron affinities (approaching 13 eV). The utilizing halogenoids as ligands in the superhalogen anionic species is proposed and discussed on the basis of the ab initio outer valence Green function (OVGF) theoretical results. The representative species, such as LiX(2)(-), NaX(2)(-), BeX(3)(-), MgX(3)(-), CaX(3)(-), BX(4)(-), and AlX(4)(-) (where X stands for a halogenoid group), were designed and studied at the OVGF/6-311+G(3df)//MP2/6-311+G(d) level. It was found that the halogenoids (CN, NC, OCN, NCO, SCN, and NCS) might be used as ligands while designing novel superhalogen anions. The lowest and highest electron binding energies for the species considered were found for the Na(NCS)(2)(-) (5.010 eV) and Al(NC)(4)(-) (9.209 eV), respectively. The desired range of the electronic stability of the resulting species might be achieved by the proper choice of the central metal atom and the halogenoid ligand. |
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Authors:
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Sylwia Smuczy??ska; Piotr Skurski |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: Inorganic chemistry Volume: 48 ISSN: 1520-510X ISO Abbreviation: Inorg Chem Publication Date: 2009 Nov |
Date Detail:
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Created Date: 2009-10-26 Completed Date: 2010-01-19 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0366543 Medline TA: Inorg Chem Country: United States |
Other Details:
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Languages: eng Pagination: 10231-8 Citation Subset: - |
Affiliation:
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Department of Chemistry, University of Gda??sk, Sobieskiego 18, 80-952 Gda??sk, Poland. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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