Comprehensive structural study of lanthanide(III) chloride hydrates: [RECl3·xH2O (RE = La–Nd, Sm–Lu; x = 6, 7)]
A comprehensive crystallographic study is presented of the complete series of rare-earth(III) chloride hydrates. Early lanthanides form dimeric [(H2O)7RE(μ-Cl)2RE(H2O)7]4+ binuclear complexes in which each RE atom (RE = La3+, Ce3+) is coordinated by seven H2O molecules and two bridging inner-sphere...
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International Union of Crystallography
2024-12-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S2056989024011319 |
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| author | Thimira Kandabadage Beau Legnon Sviatoslav Baranets |
| author_facet | Thimira Kandabadage Beau Legnon Sviatoslav Baranets |
| author_sort | Thimira Kandabadage |
| collection | DOAJ |
| description | A comprehensive crystallographic study is presented of the complete series of rare-earth(III) chloride hydrates. Early lanthanides form dimeric [(H2O)7RE(μ-Cl)2RE(H2O)7]4+ binuclear complexes in which each RE atom (RE = La3+, Ce3+) is coordinated by seven H2O molecules and two bridging inner-sphere chloride ions. Di-μ-chlorido-bis[heptaaqualanthanide(III)] tetrachloride, [(H2O)7RE(μ-Cl)2RE(H2O)7]Cl4, crystallizes in the triclinic space group P1. Heavier lanthanides exhibit monomeric [RECl2(H2O)6]+ units where each RE atom (RE = Pr3+, Nd3+, Sm3+–Lu3+) is coordinated by six H2O molecules and two inner-sphere chloride ions. Hexaaquadichloridolanthanide(III) chlorides, [RECl2(H2O)6]Cl, adopt the monoclinic space group P2/c. In both structures, the cationic inner-sphere complex is counter-charged by the corresponding number of outer-sphere Cl− anions, in which the metal ion and outer-sphere chloride ion lie on crystallographic twofold axes. Crystal structures for all compounds were determined in high quality with refined H-atom positions and were collected at the same temperature (100 K), providing a uniform structural dataset and addressing discrepancies in previous reports. The crystal structure of [HoCl2(H2O)6]Cl is reported for the first time. |
| format | Article |
| id | doaj-art-3e807117f5b042358a0ea2b99d0f191d |
| institution | OA Journals |
| issn | 2056-9890 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | International Union of Crystallography |
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| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-3e807117f5b042358a0ea2b99d0f191d2025-08-20T02:35:57ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902024-12-0180121342134910.1107/S2056989024011319hb8106Comprehensive structural study of lanthanide(III) chloride hydrates: [RECl3·xH2O (RE = La–Nd, Sm–Lu; x = 6, 7)]Thimira Kandabadage0Beau Legnon1Sviatoslav Baranets2Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803, USADepartment of Chemistry, Louisiana State University, Baton Rouge, LA 70803, USADepartment of Chemistry, Louisiana State University, Baton Rouge, LA 70803, USAA comprehensive crystallographic study is presented of the complete series of rare-earth(III) chloride hydrates. Early lanthanides form dimeric [(H2O)7RE(μ-Cl)2RE(H2O)7]4+ binuclear complexes in which each RE atom (RE = La3+, Ce3+) is coordinated by seven H2O molecules and two bridging inner-sphere chloride ions. Di-μ-chlorido-bis[heptaaqualanthanide(III)] tetrachloride, [(H2O)7RE(μ-Cl)2RE(H2O)7]Cl4, crystallizes in the triclinic space group P1. Heavier lanthanides exhibit monomeric [RECl2(H2O)6]+ units where each RE atom (RE = Pr3+, Nd3+, Sm3+–Lu3+) is coordinated by six H2O molecules and two inner-sphere chloride ions. Hexaaquadichloridolanthanide(III) chlorides, [RECl2(H2O)6]Cl, adopt the monoclinic space group P2/c. In both structures, the cationic inner-sphere complex is counter-charged by the corresponding number of outer-sphere Cl− anions, in which the metal ion and outer-sphere chloride ion lie on crystallographic twofold axes. Crystal structures for all compounds were determined in high quality with refined H-atom positions and were collected at the same temperature (100 K), providing a uniform structural dataset and addressing discrepancies in previous reports. The crystal structure of [HoCl2(H2O)6]Cl is reported for the first time.https://journals.iucr.org/paper?S2056989024011319crystal structurerare-earth metalsperiodic trendscoordinationhydrates |
| spellingShingle | Thimira Kandabadage Beau Legnon Sviatoslav Baranets Comprehensive structural study of lanthanide(III) chloride hydrates: [RECl3·xH2O (RE = La–Nd, Sm–Lu; x = 6, 7)] Acta Crystallographica Section E: Crystallographic Communications crystal structure rare-earth metals periodic trends coordination hydrates |
| title | Comprehensive structural study of lanthanide(III) chloride hydrates: [RECl3·xH2O (RE = La–Nd, Sm–Lu; x = 6, 7)] |
| title_full | Comprehensive structural study of lanthanide(III) chloride hydrates: [RECl3·xH2O (RE = La–Nd, Sm–Lu; x = 6, 7)] |
| title_fullStr | Comprehensive structural study of lanthanide(III) chloride hydrates: [RECl3·xH2O (RE = La–Nd, Sm–Lu; x = 6, 7)] |
| title_full_unstemmed | Comprehensive structural study of lanthanide(III) chloride hydrates: [RECl3·xH2O (RE = La–Nd, Sm–Lu; x = 6, 7)] |
| title_short | Comprehensive structural study of lanthanide(III) chloride hydrates: [RECl3·xH2O (RE = La–Nd, Sm–Lu; x = 6, 7)] |
| title_sort | comprehensive structural study of lanthanide iii chloride hydrates recl3·xh2o re la nd sm lu x 6 7 |
| topic | crystal structure rare-earth metals periodic trends coordination hydrates |
| url | https://journals.iucr.org/paper?S2056989024011319 |
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