메뉴 건너뛰기




Volumn 126, Issue 1, 2004, Pages 352-363

Mechanism of Homogeneous Ir(III) Catalyzed Regioselective Arylation of Olefins

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CARRIER CONCENTRATION; CATALYSIS; CATALYSTS; CHEMICAL BONDS; IRIDIUM;

EID: 0345868426     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja034126i     Document Type: Article
Times cited : (189)

References (39)
  • 12
    • 0004160492 scopus 로고    scopus 로고
    • Schrodinger, Inc., Portland, Oregon
    • Jaguar 4.1. Schrodinger, Inc., Portland, Oregon, 2000.
    • (2000) Jaguar 4.1
  • 15
    • 0000360975 scopus 로고    scopus 로고
    • Laird, B. B., Ross, R. B., Ziegler, T., Eds.; ACS Symposium Series 629; American Chemical Society: Washington. DC
    • Baker, J.; Muir, M.; Andzelm, J.; Scheiner, A. In Chemical Applications Density-Functional Theory: Laird, B. B., Ross, R. B., Ziegler, T., Eds.; ACS Symposium Series 629; American Chemical Society: Washington. DC, 1996.
    • (1996) Chemical Applications Density-Functional Theory
    • Baker, J.1    Muir, M.2    Andzelm, J.3    Scheiner, A.4
  • 26
    • 85039570012 scopus 로고    scopus 로고
    • Schrodinger, Inc., Portland, Oregon. Personal communication
    • Cao, Y.; Schrodinger, Inc., Portland, Oregon. Personal communication
    • Cao, Y.1
  • 28
    • 85039576016 scopus 로고    scopus 로고
    • note
    • During review, one of the referees pointed out that the distribution of n-propyl benzene vs i-propyl benzene corresponds to the thermodynamic equilibrium distribution. However, this appears to be coincidental. Preliminary experimental studies show that i-propyl benzene is not susceptible to isomerization, either to n-propyl benzene or other products, when heated to 200°C with the catalyst, 7, in liquid benzene (with or without ethylene). This shows that the reaction cannot be under thermodynamic control. Preliminary calculations also show that the product distribution from higher alkenes do not correspond to the thermodynamic distribution. For example, the equilibrium distribution of 2-methyl-propyl benzene vs tert-butyl benzene is calculated to 97: 3, whereas the distribution observed in ref 3 is reported as 82:18.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.