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Volumn 42, Issue 41, 2003, Pages 5083-5086

Elemental Gallium as a Source of Subvalent Gallium Units in Gallium-Rhodium Clusters

Author keywords

Cluster compounds; Electron localization functions; Gallium; Insertions; Rhodium

Indexed keywords

CHEMICAL BONDS; COORDINATION REACTIONS; REACTION KINETICS; RHODIUM; TRANSITION METALS;

EID: 0242323500     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200351226     Document Type: Article
Times cited : (11)

References (35)
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    • F.-Q. Liu, A. Künzel, A. Herzog, H. W. Roesky, M. Noltemeyer, R. Fleischer, D. Stalke, Polyhedron 1997, 16, 61-65. For the use of Al in analogous reactions see: F.-Q. Liu, H. Gornitzka, D. Stalke, H.W. Roesky, Angew. Chem. 1993, 105, 447-448; Angew. Chem. Int. Ed. Engl. 1993, 32, 442-443.
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    • note
    • 2 = 0.1015. CCDC-203124-203126 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB21EZ, UK; fax: (+ 44) 1223-336-033; or deposit@ccdc.cam.ac.uk).
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    • note
    • 3 ligand in 3.
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    • note
    • Compare with other Rh-Ga bond lenghts: in 4 d(Rh1-Ga2) = 2.442(1) Å; in 3 d(Rh1-Ga1) = 2.438(1) Å, d(Rh1-Ga2) = 2.442(1) Å.
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    • note
    • a) The DFT calculations employed the B3LYP hybrid functional[10b] in the implementation within the Gaussian98 program.[10c] The calculations used quasi-relativistic small-core pseudopotentials (effective-core potentials, ECP) for Rh[10d] and Ga,[10e] together with a [8s7p6d]/(6s5p3d) valence basis set for Rh[10d] and a [12s12p9d]/(6s6p4d) basis for Ga.[10e] C, O, and Cl were treated by ECPs and DZP valence basis sets,[10f] and a DZ basis[10g] was used for hydrogen. The electronic structure of the complexes has been studied using the electron localization function (ELF[10h]) and natural population analyses (NPA[10i]; using the built-in NBO module of the Gaussian 98 program[10c]). The ELF data have been created using the TopMoD suite of programs[10j] and are graphically displayed using the MOLEKEL program.[10k]
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    • h) See, for examnple: A. D. Becke, K. E. Edgecombe, J. Chem. Phys. 1990, 92, 5397-5403; A. Savin, R. Nesper, S. Wengert, T. F. Fässler, Angew. Chem. 1997, 109, 1892-1918; Angew. Chem. Int. Ed. Engl. 1997, 36, 1809-1832;
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    • h) See, for examnple: A. D. Becke, K. E. Edgecombe, J. Chem. Phys. 1990, 92, 5397-5403; A. Savin, R. Nesper, S. Wengert, T. F. Fässler, Angew. Chem. 1997, 109, 1892-1918; Angew. Chem. Int. Ed. Engl. 1997, 36, 1809-1832;
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    • 2h for 3′.
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    • note
    • There are two different lenghts of the Rh-Ga bonds within the antiprism: 2.426(1) and 2.458(1) Å.
  • 32
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    • note
    • A comparison of structures included in Cambridge Crystallographic Database shows that lengths of Rh-Rh and Ga-Ga bonds (described as single ones) vary in quite broad ranges: 2.315-3.294 Å and 2.324-3.046 Å respectively. At that a maximum of distribution for Rh-Rh distances lies between 2.660 and 2.880 A. As to Ga-Ga bonds the distribution does not have an explicit maximum, and most of the values are represented almost evenly between 2.367 and 2.720 A.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.