Giant 13C and 29Si NMR chemical shifts in Tl(I) and Pb(II) complexes: Role of relativity

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F70883521%3A28610%2F16%3A43875492" target="_blank" >RIV/70883521:28610/16:43875492 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Giant 13C and 29Si NMR chemical shifts in Tl(I) and Pb(II) complexes: Role of relativity
Original language description
The 13C and 29Si NMR signals of ligand atoms directly bonded to TlI or PbII heavy-element centers are predicted to resonate at very high frequencies, up to 400 ppm for 13C and over 1000 ppm for 29Si, outside the typical experimental NMR chemical-shift ranges for a given type of nuclei. This is due to to sizeable relativistic spin-orbit effects, which can amount to >200 ppm for 13C and >1000 ppm for 29Si, values unexpected for diamagnetic compounds of the main group elements. The origin of the vast spin-orbit contributions to the 13C and 29Si NMR shifts is traced to the highly efficient 6p RIGHTWARDS ARROW 6p* metal-based orbital magnetic couplings and related to the 6p-orbital-based bonding together with the low-energy gaps between the occupied and virtual orbital subspaces in the suvbvalent TlI and PbII compounds. New NMR spectral regions for these compounds are suggested.1
Czech name
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Czech description
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Article name in the collection
15th International Conference on the Coordination and Organometallic Chemistry of Germanium, Tin and Lead
ISBN
978-80-7560-007-3
ISSN
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e-ISSN
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Number of pages
1
Pages from-to
83
Publisher name
GTL 2016
Place of publication
Pardubicee
Event location
Pardubice
Event date
Aug 28, 2016
Type of event by nationality
EUR - Evropská akce
UT code for WoS article
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