Exploring new 129Xe chemical shift ranges in HXeY compounds: hydrogen more relativistic than xenon

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F12%3A00074606" target="_blank" >RIV/00216224:14740/12:00074606 - isvavai.cz</a>
Result on the web
<a href="http://pubs.rsc.org/en/content/articlelanding/2012/cp/c2cp41240c" target="_blank" >http://pubs.rsc.org/en/content/articlelanding/2012/cp/c2cp41240c</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/C2CP41240C" target="_blank" >10.1039/C2CP41240C</a>

Result language
angličtina
Original language name
Exploring new 129Xe chemical shift ranges in HXeY compounds: hydrogen more relativistic than xenon
Original language description
Among rare gases, xenon features an unusually broad nuclear magnetic resonance (NMR) chemical shift range in its compounds and as a non-bonded Xe atom introduced into different environments. In this work we show that 129Xe NMR chemical shifts in the recently prepared, matrix-isolated xenon compounds appear in new, so far unexplored 129Xe chemical shift ranges. State-of-the-art theoretical predictions of NMR chemical shifts in compounds of general formula HXeY (Y = H, F, Cl, Br, I, -CN, -NC, -CCH, -CCCCH, -CCCN, -CCXeH, -OXeH, -OH, -SH) as well as in the recently prepared ClXeCN and ClXeNC species are reported. The bonding situation of Xe in the studied compounds is rather different from the previously characterized cases as Xe appears in the electronicstate corresponding to a situation with a low formal oxidation state, between I and II in these compounds. Accordingly, the predicted 129Xe chemical shifts occur in new NMR ranges for this nucleus: ca. 500-1000 ppm (wrt Xe gas) for HXeY
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
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/ED1.1.00%2F02.0068" target="_blank" >ED1.1.00/02.0068: Central european institute of technology</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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