[(Cp*RuCl)(2)(mu-Cl)(2)]: Bond-stretch or spin-state isomerism?
Broken-symmetry density functional theory shows that there is no intrinsic link between the change in structure and the change in spin state shown by [(Cp*RuCl)2(μCl)2]. The bistability observed in this complex should therefore be regarded as an example of bond-stretch isomerism, rather than spin-st...
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| Format: | Journal article |
| Language: | English |
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2000
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| _version_ | 1797092308004372480 |
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| author | McGrady, J |
| author_facet | McGrady, J |
| author_sort | McGrady, J |
| collection | OXFORD |
| description | Broken-symmetry density functional theory shows that there is no intrinsic link between the change in structure and the change in spin state shown by [(Cp*RuCl)2(μCl)2]. The bistability observed in this complex should therefore be regarded as an example of bond-stretch isomerism, rather than spin-state isomerism [Eq. (1)]. Cp*= C5Me5. |
| first_indexed | 2024-03-07T03:44:16Z |
| format | Journal article |
| id | oxford-uuid:beeb7752-ea4f-4765-b9ae-1884be8ed5de |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T03:44:16Z |
| publishDate | 2000 |
| record_format | dspace |
| spelling | oxford-uuid:beeb7752-ea4f-4765-b9ae-1884be8ed5de2022-03-27T05:43:32Z[(Cp*RuCl)(2)(mu-Cl)(2)]: Bond-stretch or spin-state isomerism?Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:beeb7752-ea4f-4765-b9ae-1884be8ed5deEnglishSymplectic Elements at Oxford2000McGrady, JBroken-symmetry density functional theory shows that there is no intrinsic link between the change in structure and the change in spin state shown by [(Cp*RuCl)2(μCl)2]. The bistability observed in this complex should therefore be regarded as an example of bond-stretch isomerism, rather than spin-state isomerism [Eq. (1)]. Cp*= C5Me5. |
| spellingShingle | McGrady, J [(Cp*RuCl)(2)(mu-Cl)(2)]: Bond-stretch or spin-state isomerism? |
| title | [(Cp*RuCl)(2)(mu-Cl)(2)]: Bond-stretch or spin-state isomerism? |
| title_full | [(Cp*RuCl)(2)(mu-Cl)(2)]: Bond-stretch or spin-state isomerism? |
| title_fullStr | [(Cp*RuCl)(2)(mu-Cl)(2)]: Bond-stretch or spin-state isomerism? |
| title_full_unstemmed | [(Cp*RuCl)(2)(mu-Cl)(2)]: Bond-stretch or spin-state isomerism? |
| title_short | [(Cp*RuCl)(2)(mu-Cl)(2)]: Bond-stretch or spin-state isomerism? |
| title_sort | cp rucl 2 mu cl 2 bond stretch or spin state isomerism |
| work_keys_str_mv | AT mcgradyj cprucl2mucl2bondstretchorspinstateisomerism |