Te-Te interactions in inorganic rings with sulfur donors

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F03%3A00009619" target="_blank" >RIV/00216224:14310/03:00009619 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14310/03:00008738
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Te-Te interactions in inorganic rings with sulfur donors
Original language description
Te(II) forms binuclear complexes with bridging [{S=P(Ph)(2)}(2)N](-) ligands and axial aryl groups with very long (TeTe)-Te-... distances, while Te(I) analogues with [S2P(R)(2)](-) have no axial ligands and exhibit a Te-Te bond. No such selenium complexes have been found, although a square-planar mononuclear derivative of [{S=P(Ph)(2)}(2)N](-) is available for both Te and Se. In an attempt to study the nature of the (TeTe)-Te-... interaction, a variety of theoretical approaches and basis sets was used in order to find the best way to reproduce the (TeTe)-Te-... distance in the Te(II) derivatives. DFT calculations with the ADF program provided the best answer, since MP2 calculations are more computationally demanding. While the formal oxidation state ofTe is a requirement for a Te-Te bond, the type of ligand strongly determines the geometry of the binuclear species. The smaller [S2P(R)(2)](-) leads to more asymmetric species, with Te forming a normal Te-S bond and a very weak one; with
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CA - Inorganic chemistry
OECD FORD branch
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Project
<a href="/en/project/GA203%2F99%2F0067" target="_blank" >GA203/99/0067: Lease of crystallographic databases</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2003
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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