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Volumn 45, Issue 38, 2006, Pages 6386-6391

High-yield ruthenium-catalyzed Friedel-Crafts-type allylation reactions using dicationic RuIV catalysts

Author keywords

Allylations; Density functional calculations; NMR spectroscopy; Ruthenium; Structure elucidation

Indexed keywords

CATALYSTS; CHEMICAL BONDS; FRIEDEL-CRAFTS REACTION; NUCLEAR MAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; RUTHENIUM; X RAY DIFFRACTION ANALYSIS;

EID: 33749334710     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200600447     Document Type: Article
Times cited : (72)

References (51)
  • 15
    • 0012437490 scopus 로고    scopus 로고
    • (Eds.: D. Helmchen, J. Dibo, J. Flubacher, B. Wiese), Friedr. Vieweg, Braunschwewig
    • a) P. H. Dixneuf, C. Bruneau in Organic Synthesis via Organometallics OSM 5 (Eds.: D. Helmchen, J. Dibo, J. Flubacher, B. Wiese), Friedr. Vieweg, Braunschwewig, 1997, p. 1;
    • (1997) Organic Synthesis Via Organometallics OSM 5 , pp. 1
    • Dixneuf, P.H.1    Bruneau, C.2
  • 33
    • 33749352942 scopus 로고    scopus 로고
    • note
    • 2) with SHELXTL (ver. 6.12) and SHELXL-97
  • 34
    • 33749332004 scopus 로고    scopus 로고
    • note
    • 3CN at 353 K). After 12 h, that is, more than one order of magnitude longer than necessary for 100 % conversion, we did find about 60% of the Friedel-Crafts product. However, this reaction is much too slow to be relevant.
  • 44
    • 33749333682 scopus 로고    scopus 로고
    • note
    • DFT calculations were performed with the Gaussian 98 software package using the mPW1PW91 hybrid functional. The basis set that was used included a standard SDD which was augmented with an f-polarization function for Ru and 4-31G(d) for the other atoms. The atomic charges resulted from a natural population analysis (NPA). Computational details and the corresponding list of references are given as Supporting Information.
  • 50
    • 33749325053 scopus 로고    scopus 로고
    • note
    • The radii from the X-ray data for the cations in 3, 4, and 5 are 4.6, 4.8, and 4.5 Å, respectively.
  • 51
    • 33749362552 scopus 로고    scopus 로고
    • note
    • In a typical catalytic experiment the concentration of the catalyst precursor is 4.2 mM. The PGSE diffusion studies were performed at 2 mM, so that, in the catalytic solution, even more aggregation is expected.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.