Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion†
A new Zintl cluster, [(Ni@Sn9)In(Ni@Sn9)]5−, has been isolated in two distinct isomeric forms, one where both Ni@Sn9 units are coordinated to the bridging In atom in an η3- mode, the other where one is η3- and the other η4-. Density functional theory indicates that the energetic separation between t...
| Main Authors: | , , , , , |
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| Format: | Journal article |
| Language: | English |
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Royal Society of Chemistry
2019
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| _version_ | 1826303505849122816 |
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| author | Zhang, C Morgan, H Wang, Z Liu, C Sun, Z McGrady, J |
| author_facet | Zhang, C Morgan, H Wang, Z Liu, C Sun, Z McGrady, J |
| author_sort | Zhang, C |
| collection | OXFORD |
| description | A new Zintl cluster, [(Ni@Sn9)In(Ni@Sn9)]5−, has been isolated in two distinct isomeric forms, one where both Ni@Sn9 units are coordinated to the bridging In atom in an η3- mode, the other where one is η3- and the other η4-. Density functional theory indicates that the energetic separation between these two structures is minimal, suggesting that crystal packing plays a decisive role in the structural chemistry. A comparison of the electronic structure of [(Ni@Sn9)In(Ni@Sn9)]5− with [(Ni@Ge9)Ni(Ni@Ge9)]4−, which has four fewer valence electrons, sheds some light on possible mechanisms that lead to the fusion of cluster fragments. |
| first_indexed | 2024-03-07T06:03:43Z |
| format | Journal article |
| id | oxford-uuid:ed1b6c3d-f99d-4810-aae9-a019d91d11b3 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T06:03:43Z |
| publishDate | 2019 |
| publisher | Royal Society of Chemistry |
| record_format | dspace |
| spelling | oxford-uuid:ed1b6c3d-f99d-4810-aae9-a019d91d11b32022-03-27T11:22:32ZStructural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion†Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:ed1b6c3d-f99d-4810-aae9-a019d91d11b3EnglishSymplectic Elements at OxfordRoyal Society of Chemistry2019Zhang, CMorgan, HWang, ZLiu, CSun, ZMcGrady, JA new Zintl cluster, [(Ni@Sn9)In(Ni@Sn9)]5−, has been isolated in two distinct isomeric forms, one where both Ni@Sn9 units are coordinated to the bridging In atom in an η3- mode, the other where one is η3- and the other η4-. Density functional theory indicates that the energetic separation between these two structures is minimal, suggesting that crystal packing plays a decisive role in the structural chemistry. A comparison of the electronic structure of [(Ni@Sn9)In(Ni@Sn9)]5− with [(Ni@Ge9)Ni(Ni@Ge9)]4−, which has four fewer valence electrons, sheds some light on possible mechanisms that lead to the fusion of cluster fragments. |
| spellingShingle | Zhang, C Morgan, H Wang, Z Liu, C Sun, Z McGrady, J Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion† |
| title | Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion† |
| title_full | Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion† |
| title_fullStr | Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion† |
| title_full_unstemmed | Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion† |
| title_short | Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5− Zintl ion† |
| title_sort | structural isomerism in the ni sn9 in ni sn9 5 zintl ion† |
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