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Volumn 556, Issue 1-2, 1998, Pages 11-20

Ferrocenic acid derivatives: Towards rationalizing changes in the electronic and geometric structures

Author keywords

Ammonium ion; Electronic and geometric structures; Ferrocene

Indexed keywords


EID: 0002913671     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-328X(97)00785-7     Document Type: Article
Times cited : (78)

References (70)
  • 38
    • 0040699642 scopus 로고    scopus 로고
    • -1, R=0.0226 and wR=0.0574 for I 2σ(I), R=0.0269 and wR=0.0600 for all data
    • -1, R=0.0226 and wR=0.0574 for I 2σ(I), R=0.0269 and wR=0.0600 for all data.
  • 39
    • 0039514452 scopus 로고    scopus 로고
    • 2 data using the Siemens SHELXTL program system. All non hydrogen atoms were refined with anisotropic temperature factors. Hydrogen atoms were located in the density map and positions fully refined using isotropic temperature factors. The refinement converged at R=0.0226, wR=0.0574 (for all observed data I 2σ(I)
    • 2 data using the Siemens SHELXTL program system. All non hydrogen atoms were refined with anisotropic temperature factors. Hydrogen atoms were located in the density map and positions fully refined using isotropic temperature factors. The refinement converged at R=0.0226, wR=0.0574 (for all observed data I 2σ(I).
  • 40
    • 0038921973 scopus 로고    scopus 로고
    • According to our experimental findings, the structure of ferrocene carboxylic acid consists of hydrogen bonded acid dimers with d(OO)=2.656 Å, which is in good agreement with Cotton's structure (see ref. [11]a). In addition, we find a weak interaction of between the oxygen of the carboxylate with a C-H bond of the Cp of d(OH)=2.534 Å. This distance is clearly within the sum of the van der Waals radii and indicates a weak interaction
    • According to our experimental findings, the structure of ferrocene carboxylic acid consists of hydrogen bonded acid dimers with d(OO)=2.656 Å, which is in good agreement with Cotton's structure (see ref. [11]a). In addition, we find a weak interaction of between the oxygen of the carboxylate with a C-H bond of the Cp of d(OH)=2.534 Å. This distance is clearly within the sum of the van der Waals radii and indicates a weak interaction.
  • 42
    • 0040699641 scopus 로고    scopus 로고
    • -1, R=0.0979 and wR=0.2300 for I 2σ(I) (R=0.1474 and wR=0.2724 for all data). Due to the small crystal size only one quarter of all reflections were observed
    • -1, R=0.0979 and wR=0.2300 for I 2σ(I) (R=0.1474 and wR=0.2724 for all data). Due to the small crystal size only one quarter of all reflections were observed.
  • 43
    • 0040106185 scopus 로고    scopus 로고
    • 2 using the Siemens SHELXTL program suite. All non-hydrogen atoms are refined anisotropically. Hydrogen atoms are placed in calculated positions (see supplementary material)
    • 2 using the Siemens SHELXTL program suite. All non-hydrogen atoms are refined anisotropically. Hydrogen atoms are placed in calculated positions (see supplementary material).
  • 49
    • 5544227874 scopus 로고
    • (a) L. Fan, T. Ziegler
    • (a) L. Fan, T. Ziegler J. Chem. Phys. 94 (1991) 6057.
    • (1991) J. Chem. Phys. , vol.94 , pp. 6057
  • 63
    • 0040699643 scopus 로고
    • Programmed by Eötvös University, Budapest, Hungary
    • Programmed by A.G. Csaszar, P.G. Szalay, Eötvös University, Budapest, Hungary, 1984.
    • (1984)
    • Csaszar, A.G.1    Szalay, P.G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.