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Volumn 5, Issue 6, 2014, Pages 2340-2346

Metal control of selectivity in acetate-assisted C-H bond activation: An experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)-H bonds at Ir and Rh

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; EXPERIMENTS; IRIDIUM; SUBSTRATES; VOLATILE FATTY ACIDS;

EID: 84900315627     PISSN: 20416520     EISSN: 20416539     Source Type: Journal    
DOI: 10.1039/c4sc00738g     Document Type: Article
Times cited : (46)

References (37)
  • 30
    • 67449127136 scopus 로고    scopus 로고
    • PivOD was added to accelerate the H/D exchange and was required for some substrates in order to observe a substantial exchange (see ESI for details) The same general trends are observed in MeOH, however, in some cases further reaction of the product was seen. Hence, to minimise these problems, dichloromethane was used for iridium experiments. For rhodium methanol was used since the reactions are much faster in this solvent Calculations were performed with the Gaussian 03 and 09 suite of programs. The energies from gas-phase optimisations obtained with the BP86 functional were recomputed with an extended basis set and corrected for the effects of solvent (PCM approach) and dispersion (Grimme's D3 parameter set). See ESI.
    • L. Li W. W. Brennessel W. D. Jones Organometallics 2009 28 3492 3500
    • (2009) Organometallics , vol.28 , pp. 3492-3500
    • Li, L.1    Brennessel, W.W.2    Jones, W.D.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.