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Volumn 127, Issue 40, 2005, Pages 14062-14071

Reduction of imines by hydroxycyclopentadienyl ruthenium hydride: Intramolecular trapping evidence for hydride and proton transfer outside the coordination sphere of the metal

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; HYDRIDES; NITROGEN COMPOUNDS; PROTON BEAMS; REDUCTION; SOLVENTS;

EID: 26444594290     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja053956o     Document Type: Article
Times cited : (121)

References (36)
  • 15
    • 26444505667 scopus 로고    scopus 로고
    • note
    • The values were obtained with the B3LYP method associated with a double-ζ quality basis set (LANL2DZ) with an f polarization function added to Ru and 6-31++-HG(d,p) for the main group elements; Ru was treated with the effective core potential developed by Hay and Wadt. Single point energies were also calculated with Moller-Plesset (MP2) method at the B3LYP optimized geometries. To account for solvation effects, single point solvation free energies were estimated with a continuum model at the IEF-PCM level. For further details, see the Supporting Information.
  • 19
    • 26444571545 scopus 로고    scopus 로고
    • note
    • In contrast, the reduction of the less basic N-aryl imine 11 by 2 is greatly retarded by isopropylamine (see below).
  • 20
    • 26444544010 scopus 로고    scopus 로고
    • note
    • BX = 11.5 Hz, NHCHH).
  • 21
    • 26444480425 scopus 로고    scopus 로고
    • note
    • The observed 6:75 (=7:93) ratio of 8:9 is within experimental error of the 6:94 equilibrium ratio reported above.
  • 27
    • 26444437873 scopus 로고    scopus 로고
    • note
    • 3, R(F) = 0.0466 for 5737 independent reflections. All non-hydrogen atoms were refined with anisotropic displacement coefficients. All hydrogen atoms were included in the structure factor calculation at idealized positions and were allowed to ride on the neighboring atoms with relative isotropic displacement coefficients.
  • 31
    • 26444563118 scopus 로고    scopus 로고
    • note
    • The distances from ruthenium to the cyclopentadienone carbon atoms were compared with the corresponding values in 29 related complexes reported to the Cambridge Structural Database (CSD).
  • 35
    • 26444535419 scopus 로고    scopus 로고
    • note
    • If none of the aryl resonances were accidentally equivalent, then 24 peaks would be expected; 21 were seen.
  • 36
    • 26444533043 scopus 로고    scopus 로고
    • note
    • If none of the aryl resonances were accidentally equivalent, then 24 peaks would be expected; 22 were seen.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.