| DOI | Trouver le DOI : https://doi.org/10.1134/S0022476616020104 |
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| Auteur | Rechercher : Terskikh, V. V.; Rechercher : Pawsey, S.; Rechercher : Ripmeester, J. A.1 |
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| Affiliation | - Conseil national de recherches du Canada. Technologies de sécurité et de rupture
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| Format | Texte, Article |
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| Sujet | ³⁵Cl NMR; ³⁵Cl NQR; Selenium; Tellurium; Hexachloride; DFT calculations; CASTEP NMR |
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| Résumé | We report solid-state ³⁵Cl NMR spectra in three hexachlorides, (NH₄)₂SeCl₆, (NH₄)₂TeCl₆ and Rb₂TeCl₆. The C Q (³⁵Cl) quadrupole coupling constants in the three compounds were found to be 41.4±0.1 MHz, 30.3±0.1 MHz and 30.3±0.1 MHz, respectively, some of the largest C Q (³⁵Cl) quadrupole coupling constants ever measured in polycrystalline powdered solids directly via ³⁵Cl NMR spectroscopy. The ³⁵Cl EFG tensors are axial in all three cases reflecting the C ₄ᵥ point group symmetry of the chlorine sites. ³⁵Cl NMR experiments in these compounds were only made possible by employing the WURST-QCPMG pulse sequence in the ultrahigh magnetic field of 21.1 T. ³⁵Cl NMR results agree with the earlier reported ³⁵Cl NQR values and with the complementary plane-wave DFT calculations. The origin of the very large C Q (³⁵Cl) quadrupole coupling constants in these and other main-group chlorides lies in the covalent-type chlorine bonding. The ionic bonding in the ionic chlorides results in significantly reduced C Q (³⁵Cl) values as illustrated with triphenyltellurium chloride Ph₃TeCl. The high sensitivity of ³⁵Cl NMR to the chlorine coordination environment is demonstrated using tetrachlorohydroxotellurate hydrate K[TeCl₄(OH)]∙0.5H₂O as an example. ¹²⁵Te MAS NMR experiments were performed for tellurium compounds to support ³⁵Cl NMR findings. |
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| Date de publication | 2016-03 |
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| Maison d’édition | Springer International Publishing |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Identificateur | 368 |
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| Numéro NPARC | 23000403 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | ced94e84-cc64-46a6-a416-dacc2056e741 |
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| Enregistrement créé | 2016-07-13 |
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| Enregistrement modifié | 2020-03-16 |
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