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Volumn 15, Issue 2, 1996, Pages 778-785

Zirconium-91 chemical shifts and line widths as indicators of coordination geometry distortions in zirconocene complexes

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000940780     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om950757c     Document Type: Article
Times cited : (61)

References (90)
  • 63
    • 5244279575 scopus 로고    scopus 로고
    • unpublished data
    • Horn, H. unpublished data.
    • Horn, H.1
  • 67
    • 5244380582 scopus 로고
    • Ph.D. Thesis, University of Stuttgart
    • Dolg, M. Ph.D. Thesis, University of Stuttgart, 1989.
    • (1989)
    • Dolg, M.1
  • 76
    • 5244235099 scopus 로고    scopus 로고
    • note
    • The σ value denotes shielding relative to the bare nucleus and is converted to δ values according to δ = σ(standard) - σ. Note the different sign convention for σ, larger values denote increasing shielding.
  • 77
    • 5244374072 scopus 로고    scopus 로고
    • note
    • By default, core and valence orbitals are localized separately, with the Zr 4s and 4p orbitals included in the former. If these orbitals are localized together with the valence shell, somewhat different absolute shieldings are obtained; the relative δ values, however, are affected only by a few ppm.
  • 79
    • 85087249716 scopus 로고    scopus 로고
    • note
    • CH = 1.09 Å.
  • 80
    • 5244364822 scopus 로고    scopus 로고
    • note
    • The difference of the latter value compared to that computed for 1a, -0.2903 (Table 3), is a geometrical effect.
  • 90
    • 5244375624 scopus 로고    scopus 로고
    • note
    • The maximum uncertainty of the chemical shifts is ±10 ppm for broad lines.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.