Exploring Spin-Orbit Effects in a [Cu6 Tl]+ Nanocluster Featuring an Uncommon Tl-H Interaction
© 2024 Wiley-VCH GmbH..
Reaction of [CuH(PPh3 )]6 with 1 equiv. of Tl(OTf) results in formation of [Cu6 TlH6 (PPh3 )6 ][OTf] ([1]OTf]), which can be isolated in good yields. Variable-temperature 1 H NMR spectroscopy, in combination with density functional theory (DFT) calculations, confirms the presence of a rare Tl-H orbital interaction. According to DFT, the 1 H 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.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - year:2024 |
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| Enthalten in: |
Chemistry (Weinheim an der Bergstrasse, Germany) - (2024) vom: 21. Feb., Seite e202400390 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Hertler, Phoebe R [VerfasserIn] |
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| Links: |
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| Themen: |
Cluster compounds |
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| Anmerkungen: |
Date Revised 13.03.2024 published: Print-Electronic Citation Status Publisher |
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| doi: |
10.1002/chem.202400390 |
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| funding: |
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| PPN (Katalog-ID): |
NLM368716244 |
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| 520 | |a © 2024 Wiley-VCH GmbH. | ||
| 520 | |a Reaction of [CuH(PPh3 )]6 with 1 equiv. of Tl(OTf) results in formation of [Cu6 TlH6 (PPh3 )6 ][OTf] ([1]OTf]), which can be isolated in good yields. Variable-temperature 1 H NMR spectroscopy, in combination with density functional theory (DFT) calculations, confirms the presence of a rare Tl-H orbital interaction. According to DFT, the 1 H 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 | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a cluster compounds | |
| 650 | 4 | |a copper | |
| 650 | 4 | |a density functional theory | |
| 650 | 4 | |a hydrides | |
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| 700 | 1 | |a Yu, Xiaojuan |e verfasserin |4 aut | |
| 700 | 1 | |a Brower, Jordan D |e verfasserin |4 aut | |
| 700 | 1 | |a Nguyen, Thuy-Ai D |e verfasserin |4 aut | |
| 700 | 1 | |a Wu, Guang |e verfasserin |4 aut | |
| 700 | 1 | |a Autschbach, Jochen |e verfasserin |4 aut | |
| 700 | 1 | |a Hayton, Trevor W |e verfasserin |4 aut | |
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