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Volumn 46, Issue 28, 2007, Pages 5314-5316

[AuGe18{Si(SiMe3)3}6] -: A soluble Au-Ge cluster on the way to a molecular cable?

Author keywords

Cluster compounds; Germanium; Gold; Quantum chemical calculations

Indexed keywords

CLUSTER SPECIES; MOLECULAR CABLE; QUANTUM CHEMICAL CALCULATIONS;

EID: 34447572859     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200700530     Document Type: Article
Times cited : (103)

References (43)
  • 5
    • 33746307353 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2006, 45, 4333.
    • (2006) Chem. Int. Ed , vol.45 , pp. 4333
    • Angew1
  • 6
    • 34447508806 scopus 로고    scopus 로고
    • The first example of a metalloid Group 14 cluster compound was synthesized in 1999: N. Wiberg, H.-W. Lerner, S. Wagner, H. Nöth, T. Seifert, Z. Naturforsch. B 1999, 54, 877.
    • The first example of a metalloid Group 14 cluster compound was synthesized in 1999: N. Wiberg, H.-W. Lerner, S. Wagner, H. Nöth, T. Seifert, Z. Naturforsch. B 1999, 54, 877.
  • 10
  • 12
  • 16
  • 18
    • 21244477913 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2005, 44, 4026.
    • (2005) Chem. Int. Ed , vol.44 , pp. 4026
    • Angew1
  • 20
    • 34347257440 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2007, 46, 1638.
    • (2007) Chem. Int. Ed , vol.46 , pp. 1638
    • Angew1
  • 23
  • 24
    • 34447516298 scopus 로고    scopus 로고
    • The steric demand of the Si(SiMe3)3 groups is so large in this case that the methyl groups of the ligands of the different {Ge9} units are in contact, leading to a bending of the ligands. Thus, the Ge-Si bond is not located inside the plane of ligand-bound germanium atoms, but is directed away from the gold atom by 7.1°. It could be shown that this bending is mainly due to the steric demand of the bulky ligands by quantum chemical calculations on the model compounds [AuGe18H 6, 4′) and [AuGe18(SiMe 3)6, 4″, in which no steric effects are present and a bending angle of only 1.4° has been calculated
    • - (4″), in which no steric effects are present and a bending angle of only 1.4° has been calculated.
  • 27
    • 4243402296 scopus 로고    scopus 로고
    • Quantum chemical calculations were carried out with the RI-DFT version of the Turbomole program package, by employing the Becke-Perdew 86 functional. The basis sets were of SVP quality. The electronic structure was analyzed with the Ahlrichs-Heinzmann population analysis based on occupation numbers. Turbomole: O. Treutler, R. Ahlrichs, J. Chem. Phys. 1995, 102, 346;
    • Quantum chemical calculations were carried out with the RI-DFT version of the Turbomole program package, by employing the Becke-Perdew 86 functional. The basis sets were of SVP quality. The electronic structure was analyzed with the Ahlrichs-Heinzmann population analysis based on occupation numbers. Turbomole: O. Treutler, R. Ahlrichs, J. Chem. Phys. 1995, 102, 346;
  • 28
    • 5944261746 scopus 로고    scopus 로고
    • BP-86 functional: J. P. Perdew, Phys. Rev. B 1986, 33, 8822;
    • BP-86 functional: J. P. Perdew, Phys. Rev. B 1986, 33, 8822;
  • 32
    • 36849109127 scopus 로고    scopus 로고
    • Ahlrichs-Heinzmann population analysis: E. R. Davidson, J. Chem. Phys. 1967, 46, 3320;
    • Ahlrichs-Heinzmann population analysis: E. R. Davidson, J. Chem. Phys. 1967, 46, 3320;
  • 36
    • 34447502871 scopus 로고    scopus 로고
    • 2) is 1.04.
    • 2) is 1.04.
  • 37
    • 0025780005 scopus 로고    scopus 로고
    • SORI-CAD: sustained off resonance irradiation collision activated dissociation: J. Gauthier, T. Trautmann, D. Jacobson, Anal. Chim. Acta 1991, 246, 211.
    • SORI-CAD: sustained off resonance irradiation collision activated dissociation: J. Gauthier, T. Trautmann, D. Jacobson, Anal. Chim. Acta 1991, 246, 211.
  • 39
    • 34447519708 scopus 로고    scopus 로고
    • The spectral data can be found in the Supporting Information
    • The spectral data can be found in the Supporting Information.
  • 40
    • 34447537304 scopus 로고    scopus 로고
    • If 4 is considered as consisting of a Au- center and two neutral {Ge9R3} units, every {Ge9R 3} unit exhibits 21 cluster bonding electrons. This perception is in accord with the results of a population analysis,[17] in which the gold atom possesses the maximum negative charge. According to Wade's rules, a cluster of nine atoms with 21 bonding electrons would range between a closo (2n, n, 20) and a nido (2n, 4, 22) cluster. As the arrangement of the nine germanium atoms inside the {Ge 9R3} unit of 4 can be considered neither as closo (tricapped trigonal prism) nor as nido monocapped square antiprism, a description of 4 with Wade's rules seems not to be reasonable. This observation is in contrast to the results with the Zintl anions, for which the structures often fit Wade's rules;[11] thus, there is a significant di
    • [11] thus, there is a significant difference between metalloid cluster compounds and Zintl anions.
  • 42
    • 34250010588 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2007, 46, 1028.
    • (2007) Chem. Int. Ed , vol.46 , pp. 1028
    • Angew1
  • 43
    • 34447528261 scopus 로고    scopus 로고
    • G. M. Sheldrick, SHELXTL, Version 5.1, Bruker AXS, 1998
    • G. M. Sheldrick, SHELXTL, Version 5.1, Bruker AXS, 1998.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.