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Volumn 28, Issue 19, 2009, Pages 5633-5640

Isomerism and ligand rearrangement within the cyclo-P2S 3 middle deck in dimolybdenum triple-decker complexes

Author keywords

[No Author keywords available]

Indexed keywords

DFT STUDY; MAS NMR; MODEL COMPLEXES; POSITIONAL ISOMERS; SPECTROSCOPIC STUDIES; SULFUR LIGANDS;

EID: 70349777588     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om900600t     Document Type: Article
Times cited : (10)

References (46)
  • 11
    • 49449106653 scopus 로고    scopus 로고
    • For a comprehensive review see: Scheer, M. Dalton Trans. 2008, 4372.
    • (2008) Dalton Trans. , pp. 4372
    • Scheer, M.1
  • 31
    • 70349779216 scopus 로고    scopus 로고
    • Gröger, C.; Kubicki, M. M.; Meier, W.; Pronold, M.; Scheer, M.; Wachter, J.; Zabel, M. Manuscript in preparation.
    • Gröger, C.; Kubicki, M. M.; Meier, W.; Pronold, M.; Scheer, M.; Wachter, J.; Zabel, M. Manuscript in preparation.
  • 35
    • 70349778508 scopus 로고    scopus 로고
    • Mo-CDA distances (A) calculated for 4Å: Mol-S1 2.533, Mo2-S1 3.332, Mol-P2 2.467, Mol-P5 2.469, Mol-S3 2.487, Mol-S4 2.488; Mo2-P2 2.424, Mo2-P5 2.430, Mo2-S3 2.524, Mo2-S4 2.528.
    • Mo-CDA distances (A) calculated for 4Å: Mol-S1 2.533, Mo2-S1 3.332, Mol-P2 2.467, Mol-P5 2.469, Mol-S3 2.487, Mol-S4 2.488; Mo2-P2 2.424, Mo2-P5 2.430, Mo2-S3 2.524, Mo2-S4 2.528.
  • 38
    • 70349766749 scopus 로고    scopus 로고
    • Hartree-Fock and gauge-independent atomic orbital (GIAO) methods on geometries optimized with DFT/B3LYP. Mixed basis sets 6-31 +G(2d,p) (P, S, C, H) and 3-21G* (Mo, absent from the former split valence diffuse and polarized basis set).
    • Hartree-Fock and gauge-independent atomic orbital (GIAO) methods on geometries optimized with DFT/B3LYP. Mixed basis sets 6-31 +G(2d,p) (P, S, C, H) and 3-21G* (Mo, absent from the former split valence diffuse and polarized basis set).
  • 46
    • 70349780445 scopus 로고    scopus 로고
    • Unpublished results.
    • Unpublished results.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.