Dataset Information

The Chevrel phase In(4.07)Mo(15)S(11.87)Se(7.13) with mixed chalcogenide occupancy.

ABSTRACT: The single-crystal of the title compound, indium pentadecamolybdenum nonadeca(sulfide/selenide), was obtained by solid state reaction with an S/Se mixture. It adopts the structure type of In(3)Mo(15)Se(19) and In(3.7)Mo(15)S(19), which are non-substituted Chevrel phases in the space group P6(3)/m. The Mo, one S/Se and two In sites have point symmetry m.. and two S/Se and one In atoms are in 3.. sites. This compound contains isolated Mo(6) and Mo(9) clusters. The shapes of clusters are octa-hedral and confacial biocta-hedral, respectively, face-capped by chalcogen atoms over each triangle face. The Mo-X bonds (X = S, Se) play an important role for the constitution of the framework. The Mo-X distances of 2.479?(2)-2.6687?(9)?Å are within the ranges of average values of Mo-S and Mo-Se distances. The In atoms located on sites with m.. symmetry are partially occupied.

SUBMITTER: Lee YS

PROVIDER: S-EPMC2969027 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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The Chevrel phase In(4.07)Mo(15)S(11.87)Se(7.13) with mixed chalcogenide occupancy.

Lee You-Soon YS Kang Sung Kwon SK

Acta crystallographica. Section E, Structure reports online 20090306 Pt 4

The single-crystal of the title compound, indium pentadecamolybdenum nonadeca(sulfide/selenide), was obtained by solid state reaction with an S/Se mixture. It adopts the structure type of In(3)Mo(15)Se(19) and In(3.7)Mo(15)S(19), which are non-substituted Chevrel phases in the space group P6(3)/m. The Mo, one S/Se and two In sites have point symmetry m.. and two S/Se and one In atoms are in 3.. sites. This compound contains isolated Mo(6) and Mo(9) clusters. The shapes of clusters are octa-hedra ...[more]

PMID: 21582309

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Project description:New square-pyramidal bis(ene-1,2-dithiolate)MoSe complexes, [Mo(IV)Se(L)(2)](2-), have been synthesised along with their terminal sulfido analogues, [Mo(IV)S(L)(2)](2-), using alkyl (L(C(4)H(8))), phenyl (L(Ph)) and methyl carboxylate (L(COOMe)) substituted dithiolene ligands (L). These complexes now complete three sets of Mo(IV)O, Mo(IV)S and Mo(IV)Se species that are coordinated with identical ene-1,2-dithiolate ligands. The [alkyl substituted Mo(S/Se)(L(C(4)H(8)))(2)](2-) complexes were reported in prior investigations (H. Sugimoto, T. Sakurai, H. Miyake, K. Tanaka and H. Tsukube, Inorg. Chem. 2005, 44, 6927, H. Tano, R. Tajima, H. Miyake, S. Itoh and H. Sugimoto, Inorg. Chem. 2008, 47, 7465). The new series of complexes enable a systematic investigation of terminal chalcogenido and supporting ene-1,2-dithiolate ligand effects on geometric structure, electronic structure, and spectroscopic properties. X-ray crystallographic analysis of these (Et(4)N)(2)[MoEL(2)] (E = terminal chalocogenide) complexes reveals an isostructural Mo centre that adopts a distorted square pyramidal geometry. The M?E bond distances observed in the crystal structures and the ?(M?E) vibrational frequencies indicate that these bonds are weakened with an increase in L?Mo electron donation (L(COOMe) < L(Ph) < L(C(4)H(8))), and this order is confirmed by an electrochemical study of the complexes. The (77)Se NMR resonances in MoSeL complexes appear at lower magnetic fields as the selenido ion became less basic from MoSeL(C(4)H(8)), MoSeL(Ph) and MoSeL(COOMe). Electronic absorption and resonance Raman spectroscopies have been used to assign key ligand-field, MLCT, LMCT and intraligand CT bands in complexes that possess the L(COOMe) ligand. The presence of low-energy intraligand CT transition in these MoEL(COOMe) compounds directly probes the electron withdrawing nature of the -COOMe substituents, and this underscores the complex electronic structure of square pyramidal bis(ene-1,2-dithiolate)-Mo(IV) complexes that possess extended dithiolene conjugation.

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Dataset Information

The Chevrel phase In(4.07)Mo(15)S(11.87)Se(7.13) with mixed chalcogenide occupancy.

Publications

The Chevrel phase In(4.07)Mo(15)S(11.87)Se(7.13) with mixed chalcogenide occupancy.

Similar Datasets

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