메뉴 건너뛰기




Volumn 20, Issue 26, 2001, Pages 5619-5628

The nature of protonated decamethylsilicocene, (Me5C5)2Si+H

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; CLUSTER; HAPTICITIES; PROTONATED DECAMETHYLSILICOCENE; SILYL CATION; STEREOISOMERS;

EID: 0035945443     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om010604r     Document Type: Article
Times cited : (19)

References (96)
  • 1
    • 0001009612 scopus 로고    scopus 로고
    • Rappoport, Z., Apeloig, Y., Eds.; Wiley: New York
    • For recent reviews on silyl cations: (a) Maerker, C.; Schleyer, P. v. R. In The Chemistry of Organosilicon Compounds; Rappoport, Z., Apeloig, Y., Eds.; Wiley: New York, 1998; Vol. 2, p 513.
    • (1998) The Chemistry of Organosilicon Compounds , vol.2 , pp. 513
    • Maerker, C.1    Schleyer, P.V.R.2
  • 2
    • 0000879050 scopus 로고    scopus 로고
    • Rappoport, Z., Apeloig, Y., Eds.; Wiley: New York
    • (b) Lickiss, P. D. In The Chemistry of Organosilicon Compounds; Rappoport, Z., Apeloig, Y., Eds.; Wiley: New York, 1998; Vol. 2, p 557.
    • (1998) The Chemistry of Organosilicon Compounds , vol.2 , pp. 557
    • Lickiss, P.D.1
  • 43
    • 0028212962 scopus 로고
    • (j) Pauling, L. Science 1994, 263, 983.
    • (1994) Science , vol.263 , pp. 983
    • Pauling, L.1
  • 46
    • 0011505920 scopus 로고    scopus 로고
    • Ph.D. Thesis, Universität Bielefeld
    • (b) Kühler, T. Ph.D. Thesis, Universität Bielefeld, 2000.
    • (2000)
    • Kühler, T.1
  • 48
    • 0000776345 scopus 로고    scopus 로고
    • Rappoport, Z., Apeloig, Y., Eds.; Wiley: New York
    • (d) Jutzi, P. In The Chemistry of Organosilicon Compounds; Rappoport, Z., Apeloig, Y., Eds.; Wiley: New York, 1998; Vol. 2, p 2129.
    • (1998) The Chemistry of Organosilicon Compounds , vol.2 , pp. 2129
    • Jutzi, P.1
  • 49
    • 0011512651 scopus 로고
    • (a) All calculations were performed with Gaussian 94, Revisions C2-E2, and Gaussians 98, Revisions A3-A8; Gaussian; Inc.: Pittsburth, PA
    • (a) All calculations were performed with Gaussian 94, Revisions C2-E2, and Gaussians 98, Revisions A3-A8; Gaussian; Inc.: Pittsburth, PA, 1995 and 1999.
    • (1995)
  • 59
  • 65
    • 0011413447 scopus 로고    scopus 로고
    • note
    • 5 bonded).
  • 66
    • 0011413627 scopus 로고    scopus 로고
    • note
    • 2v) have been fixed to be equal during the optimization procedure. This results in a calculated structure for 3b with SiC distances of 2.448 Å (at B3LYP/6-31G(d)).
  • 71
    • 0011510482 scopus 로고    scopus 로고
    • note
    • 1.5 coordination for this isomer.
  • 80
    • 0011518342 scopus 로고    scopus 로고
    • note
    • γ').
  • 81
    • 0011413629 scopus 로고    scopus 로고
    • note
    • j are the energies of the corresponding orbitals.
  • 85
    • 0011409889 scopus 로고    scopus 로고
    • note
    • -1. We are indebted to one of the reviewers for drawing our attention to this point.
  • 95
    • 0011502929 scopus 로고    scopus 로고
    • note
    • The most stable isomer at B3LYP/6-31G(d) is 2c, although at the higher B3LYP/6-311G(2d,p) level, 2f is favored. Therefore, the free geometry optimization of the solvates 9 and 10 results in silyl cation structures which closely resemble 2c. Consequently, the calculated chemical shifts of 9 and 10 have to be compared with those predicted for 2c.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.