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Exploring Spin‐Orbit Effects in a [Cu6Tl]+ Nanocluster Featuring an Uncommon Tl−H Interaction.
- Source :
-
Chemistry - A European Journal . May2024, Vol. 30 Issue 25, p1-5. 5p. - Publication Year :
- 2024
-
Abstract
- Reaction of [CuH(PPh3)]6 with 1 equiv. of Tl(OTf) results in formation of [Cu6TlH6(PPh3)6][OTf] ([1]OTf]), which can be isolated in good yields. Variable‐temperature 1H NMR spectroscopy, in combination with density functional theory (DFT) calculations, confirms the presence of a rare Tl−H orbital interaction. According to DFT, the 1H chemical shift of the Tl‐adjacent hydride ligands of [1]+ includes 7.7 ppm of deshielding due to spin‐orbit effects from the heavy Tl atom. This study provides valuable new insights into a rare class of metal hydrides, given that [1][OTf] is only the third isolable species reported to contain a Tl−H interaction. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 09476539
- Volume :
- 30
- Issue :
- 25
- Database :
- Academic Search Index
- Journal :
- Chemistry - A European Journal
- Publication Type :
- Academic Journal
- Accession number :
- 176989214
- Full Text :
- https://doi.org/10.1002/chem.202400390