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Volumn 521, Issue 1-2, 1996, Pages 271-277

Density functional theory (DFT)/IGLO 29Si NMR study of trialkylsilylated arenium, bromonium, oxonium and nitrilium ions, comparison with experimental data and the question of persistent trialkylsilicenium ions in solution

Author keywords

Density functional theory; MO calculations; NMR; Silicenium ions; Silicon

Indexed keywords

ARENE;

EID: 0030598821     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/0022-328X(96)06227-4     Document Type: Article
Times cited : (30)

References (37)
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    • [5] L. Pauling, Science, 263 (1994) 983.
    • (1994) Science , vol.263 , pp. 983
    • Pauling, L.1
  • 8
  • 14
    • 4243088065 scopus 로고
    • (b) For a review on weakly coordinating anions, see S.H. Strauss, Chem. Rev., 93 (1993) 927.
    • (1993) Chem. Rev. , vol.93 , pp. 927
    • Strauss, S.H.1
  • 23
    • 0001733281 scopus 로고
    • [16] W. Kutzelnigg, Israel J. Chem., 27 (1980) 789; U. Fleischer, M. Schindler and W. Kutzelnigg, J. Chem. Phys., 86 (1987) 6337; M. Schindler, J. Am. Chem. Soc., 109 (1987) 5950.
    • (1980) Israel J. Chem. , vol.27 , pp. 789
    • Kutzelnigg, W.1
  • 24
    • 0000749874 scopus 로고
    • [16] W. Kutzelnigg, Israel J. Chem., 27 (1980) 789; U. Fleischer, M. Schindler and W. Kutzelnigg, J. Chem. Phys., 86 (1987) 6337; M. Schindler, J. Am. Chem. Soc., 109 (1987) 5950.
    • (1987) J. Chem. Phys. , vol.86 , pp. 6337
    • Fleischer, U.1    Schindler, M.2    Kutzelnigg, W.3
  • 25
    • 33845281681 scopus 로고
    • [16] W. Kutzelnigg, Israel J. Chem., 27 (1980) 789; U. Fleischer, M. Schindler and W. Kutzelnigg, J. Chem. Phys., 86 (1987) 6337; M. Schindler, J. Am. Chem. Soc., 109 (1987) 5950.
    • (1987) J. Am. Chem. Soc. , vol.109 , pp. 5950
    • Schindler, M.1
  • 28
    • 0004142379 scopus 로고
    • University of Alberta, Edmonton, Alb., Canada, were used as follows: Si, 11s 7p 2d contracted to [5111111, 211111, 11], d exponent 1.4 and 0.35; C, 9s 5p 1d contracted to [51111, 2111, 1], d exponent 1.0; H, 3s contracted to [21]
    • [19] Basis II, Huzinaga Gaussian lobes (S. Huzinaga, Approximate Atomic Wave Function, University of Alberta, Edmonton, Alb., Canada, 1971) were used as follows: Si, 11s 7p 2d contracted to [5111111, 211111, 11], d exponent 1.4 and 0.35; C, 9s 5p 1d contracted to [51111, 2111, 1], d exponent 1.0; H, 3s contracted to [21].
    • (1971) Approximate Atomic Wave Function
    • Huzinaga, S.1
  • 34
    • 33745770836 scopus 로고
    • [25] Basis II″, Huzinaga Gaussian lobes were used as follows; Si, C, H same as basis II′; Br, (dzp) 14s 11p 6d contracted to [62111111, 331211, 411], d exponents 1.324, 0.389; Br, ECP of Hay and Wadt (P.J. Hay and W.R. Wadt, J. Chem. Phys., 82 (1985) 270; W.R. Wadt and P.J. Hay, J. Chem. Phys., 82 (1985) 284).
    • (1985) J. Chem. Phys. , vol.82 , pp. 270
    • Hay, P.J.1    Wadt, W.R.2
  • 35
    • 0006073669 scopus 로고
    • [25] Basis II″, Huzinaga Gaussian lobes were used as follows; Si, C, H same as basis II′; Br, (dzp) 14s 11p 6d contracted to [62111111, 331211, 411], d exponents 1.324, 0.389; Br, ECP of Hay and Wadt (P.J. Hay and W.R. Wadt, J. Chem. Phys., 82 (1985) 270; W.R. Wadt and P.J. Hay, J. Chem. Phys., 82 (1985) 284).
    • (1985) J. Chem. Phys. , vol.82 , pp. 284
    • Wadt, W.R.1    Hay, P.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.