Ternary Silicides Sc<sub>3</sub><em>T</em>Si<sub>3</sub> (<em>T</em> = Ru, Rh, Ir, Pt) – Structure, Chemical Bonding, and Solid State NMR
| hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
| dc.contributor.author | HARMENING, Thomas | |
| hal.structure.identifier | Institut für Physikalische Chemie | |
| dc.contributor.author | MOHR, Daniel | |
| hal.structure.identifier | Institut für Physikalische Chemie | |
| dc.contributor.author | ECKERT, Helmut | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | AL ALAM, Adel F. | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
| dc.contributor.author | PÖTTGEN, Rainer | |
| dc.date.issued | 2010 | |
| dc.identifier.issn | 0044-2313 | |
| dc.description.abstractEn | New complex silicides Sc<sub>3</sub><em>T</em>Si<sub>3</sub> (<em>T</em> = Ru, Rh, Ir, Pt) were prepared by arc-melting of the elements. They crystallize with a new orthorhombic structure type, space group <em>Pnma</em>. The four structures were refined from single crystal diffractometer data: <em>a</em> = 1167.6(3), <em>b</em> = 398.20(9), <em>c</em> = 1026.9(2) pm, <em>wR</em>2 = 0.0559, 923 <em>F</em><sup>2</sup> values for Sc<sub>3</sub>RuSi<sub>3</sub>, <em>a</em> = 1166.8(1), <em>b</em> = 401.85(5), <em>c</em> = 1019.7(1) pm, <em>wR</em>2 = 0.0355, 819 <em>F</em><sup>2</sup> values for Sc<sub>3</sub>RhSi<sub>3</sub>, <em>a</em> = 1160.7(2), <em>b</em> = 402.84(6), <em>c</em> = 1015.1(2) pm, <em>wR</em>2 = 0.0352, 905 <em>F</em><sup>2</sup> values for Sc<sub>3</sub>IrSi<sub>3</sub>, and <em>a</em> = 1166.3(1), <em>b</em> = 403.18(5), <em>c</em> = 1019.3(2) pm, <em>wR</em>2 = 0.0465, 917 <em>F</em><sup>2</sup> values for Sc<sub>3</sub>PtSi<sub>3</sub> with 44 variables per refinement. The Sc<sub>3</sub><em>T</em>Si<sub>3</sub> structures contain complex three-dimensional [<em>T</em>Si<sub>3</sub>] polyanionic networks with slightly distorted tetrahedral silicon coordination of the transition metal atoms, e.g. 237–254 pm Ru–Si in Sc<sub>3</sub>RuSi<sub>3</sub>. The RuSi<sub>4</sub> tetrahedra share common corners along the short unit cell axis and these rows are connected by Si–Si bonds, leading to Si<sub>3</sub> units (243–244 pm Si–Si) within the [RuSi<sub>3</sub>] polyanion. Ab initio electronic structure investigations point to dominating Ru–Si interactions and show strong electron localization around the Si<sub>3</sub> units, underlining the polyanionic character. Significant differences in the <sup>45</sup>Sc quadrupolar interaction strengths between the three distinct scandium sites in the Sc<sub>3</sub><em>T</em>Si<sub>3</sub> silicide were detected by lineshape analyses of field dependent <sup>45</sup>Sc MAS as well as 2D TQMAS NMR spectroscopic data. By comparing the experimentally obtained quadrupole interaction parameters with theoretically calculated ones a site assignment of the equal intense signals is possible. | |
| dc.language.iso | en | |
| dc.publisher | Wiley-VCH Verlag | |
| dc.title.en | Ternary Silicides Sc<sub>3</sub><em>T</em>Si<sub>3</sub> (<em>T</em> = Ru, Rh, Ir, Pt) – Structure, Chemical Bonding, and Solid State NMR | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1002/zaac.200900529 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie | |
| bordeaux.page | 1839-1850 | |
| bordeaux.volume | 636 | |
| bordeaux.issue | 9-10 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00528033 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00528033v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Inorganic%20and%20General%20Chemistry%20/%20Zeitschrift%20f%C3%BCr%20anorganische%20und%20allgemeine%20Chemie&rft.date=2010&rft.volume=636&rft.issue=9-10&rft.spage=1839-1850&rft.epage=1839-1850&rft.eissn=0044-2313&rft.issn=0044-2313&rft.au=HARMENING,%20Thomas&MOHR,%20Daniel&ECKERT,%20Helmut&AL%20ALAM,%20Adel%20F.&MATAR,%20Samir%20F.&rft.genre=article |
Fichier(s) constituant ce document
| Fichiers | Taille | Format | Vue |
|---|---|---|---|
|
Il n'y a pas de fichiers associés à ce document. |
|||