메뉴 건너뛰기




Volumn 23, Issue 17, 2004, Pages 4077-4088

Catalytic oligomerization of ethylene to higher linear α-olefins promoted by cationic group 4 cydopentadienyl-arene active catalysts: A DFT investigation exploring the influence of electronic factors on the catalytic properties by modification of the hemilabile arene functionality

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; DECOMPOSITION; ELECTRIC PROPERTIES; ELECTRONS; HEAVY METALS; OLEFINS; POSITIVE IONS; REACTION KINETICS; SUBSTITUTION REACTIONS;

EID: 4344680482     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om0498100     Document Type: Article
Times cited : (31)

References (84)
  • 5
    • 0038512734 scopus 로고    scopus 로고
    • Oligomerization of ethylene to higher linear α-olefins
    • Cornus, B., Herrmann, W. A., Eds.; VCH: Weinheim, Germany
    • (e) Vogt, D. Oligomerization of Ethylene to Higher Linear α-Olefins. In Applied Homogeneous Catalysis with Organometallic Complexes; Cornus, B., Herrmann, W. A., Eds.; VCH: Weinheim, Germany, 2002; pp 240-253.
    • (2002) Applied Homogeneous Catalysis with Organometallic Complexes , pp. 240-253
    • Vogt, D.1
  • 6
    • 0006347035 scopus 로고
    • Eastmond, G. C., Ledwith, A., Russo, S., Sigwalt, P., Eds.; Pergamon: Oxford, U.K
    • (a) Tait, P. J. T.; Berry, I. G. In Comprehensive Polymer Science; Eastmond, G. C., Ledwith, A., Russo, S., Sigwalt, P., Eds.; Pergamon: Oxford, U.K., 1989; Vol. 4, p 575.
    • (1989) Comprehensive Polymer Science , vol.4 , pp. 575
    • Tait, P.J.T.1    Berry, I.G.2
  • 9
    • 0347659949 scopus 로고
    • Hartley, F. R., Patai, F. E., Eds.; John Wiley & Sons: Chicester, U.K
    • (a) Onsager, O.-T.; Johansen, J. E. In The Chemistry of the Metal-Carbon Bond; Hartley, F. R., Patai, F. E., Eds.; John Wiley & Sons: Chicester, U.K., 1986; Vol. 3 p 205.
    • (1986) The Chemistry of the Metal-carbon Bond , vol.3 , pp. 205
    • Onsager, O.-T.1    Johansen, J.E.2
  • 20
    • 84942801652 scopus 로고
    • Cooligomerization and telomerization reactions
    • Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York
    • For past reviews see: (a) Keim, W.; Behr, A.; Röper, M. Alkene and Alkyne Oligomerization, Cooligomerization and Telomerization Reactions. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York, 1982; Vol. 8, pp 371-462. (b) Jolly, P. W. Nickel-Catalyzed Oligomerization of Alkenes and Related Reactions. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York, 1982; Vol. 8, pp 615-647.
    • (1982) Comprehensive Organometallic Chemistry , vol.8 , pp. 371-462
    • Keim, W.1    Behr, A.2    Alkene, R.M.3
  • 21
    • 84942754145 scopus 로고
    • Nickel-catalyzed oligomerization of alkenes and related reactions
    • Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York
    • For past reviews see: (a) Keim, W.; Behr, A.; Röper, M. Alkene and Alkyne Oligomerization, Cooligomerization and Telomerization Reactions. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York, 1982; Vol. 8, pp 371-462. (b) Jolly, P. W. Nickel-Catalyzed Oligomerization of Alkenes and Related Reactions. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York, 1982; Vol. 8, pp 615-647.
    • (1982) Comprehensive Organometallic Chemistry , vol.8 , pp. 615-647
    • Jolly, P.W.1
  • 22
    • 0033557814 scopus 로고    scopus 로고
    • For recent reviews see: (a) Britovsek, G. J. P.; Gibson, V. C.; Wass, D. F. Angew. Chem., Int. Ed. 1999, 38, 428. (b) Ittel, S. D.; Johnson, L. K.; Brookhart, M. Chem. Rev. 2000, 100, 1169. (c) Mecking, S. Coord. Chem. Rev. 2000, 203, 325. (d) Mecking, S. Angew. Chem., Int. Ed. 2001, 40, 534. (e) Gibson, V. C.; Spitzmesser, S. K. Chem. Rev. 2003, 103, 283.
    • (1999) Angew. Chem., Int. Ed. , vol.38 , pp. 428
    • Britovsek, G.J.P.1    Gibson, V.C.2    Wass, D.F.3
  • 23
    • 0033750413 scopus 로고    scopus 로고
    • For recent reviews see: (a) Britovsek, G. J. P.; Gibson, V. C.; Wass, D. F. Angew. Chem., Int. Ed. 1999, 38, 428. (b) Ittel, S. D.; Johnson, L. K.; Brookhart, M. Chem. Rev. 2000, 100, 1169. (c) Mecking, S. Coord. Chem. Rev. 2000, 203, 325. (d) Mecking, S. Angew. Chem., Int. Ed. 2001, 40, 534. (e) Gibson, V. C.; Spitzmesser, S. K. Chem. Rev. 2003, 103, 283.
    • (2000) Chem. Rev. , vol.100 , pp. 1169
    • Ittel, S.D.1    Johnson, L.K.2    Brookhart, M.3
  • 24
    • 0033802063 scopus 로고    scopus 로고
    • For recent reviews see: (a) Britovsek, G. J. P.; Gibson, V. C.; Wass, D. F. Angew. Chem., Int. Ed. 1999, 38, 428. (b) Ittel, S. D.; Johnson, L. K.; Brookhart, M. Chem. Rev. 2000, 100, 1169. (c) Mecking, S. Coord. Chem. Rev. 2000, 203, 325. (d) Mecking, S. Angew. Chem., Int. Ed. 2001, 40, 534. (e) Gibson, V. C.; Spitzmesser, S. K. Chem. Rev. 2003, 103, 283.
    • (2000) Coord. Chem. Rev. , vol.203 , pp. 325
    • Mecking, S.1
  • 25
    • 0035793254 scopus 로고    scopus 로고
    • For recent reviews see: (a) Britovsek, G. J. P.; Gibson, V. C.; Wass, D. F. Angew. Chem., Int. Ed. 1999, 38, 428. (b) Ittel, S. D.; Johnson, L. K.; Brookhart, M. Chem. Rev. 2000, 100, 1169. (c) Mecking, S. Coord. Chem. Rev. 2000, 203, 325. (d) Mecking, S. Angew. Chem., Int. Ed. 2001, 40, 534. (e) Gibson, V. C.; Spitzmesser, S. K. Chem. Rev. 2003, 103, 283.
    • (2001) Angew. Chem., Int. Ed. , vol.40 , pp. 534
    • Mecking, S.1
  • 26
    • 0037240069 scopus 로고    scopus 로고
    • For recent reviews see: (a) Britovsek, G. J. P.; Gibson, V. C.; Wass, D. F. Angew. Chem., Int. Ed. 1999, 38, 428. (b) Ittel, S. D.; Johnson, L. K.; Brookhart, M. Chem. Rev. 2000, 100, 1169. (c) Mecking, S. Coord. Chem. Rev. 2000, 203, 325. (d) Mecking, S. Angew. Chem., Int. Ed. 2001, 40, 534. (e) Gibson, V. C.; Spitzmesser, S. K. Chem. Rev. 2003, 103, 283.
    • (2003) Chem. Rev. , vol.103 , pp. 283
    • Gibson, V.C.1    Spitzmesser, S.K.2
  • 44
    • 4344646489 scopus 로고    scopus 로고
    • note
    • The actual reaction conditions for the Ti-catalyzed selective trimerization of ethylene to 1-hexene: 30°C, ethylene pressure 5 bar, toluene as solvent.
  • 61
    • 5944261746 scopus 로고
    • (e) Perdew, J. P. Phys. Rev. 1986, B33, 8822.; Phys. Rev. B 1986, 34, 7406.
    • (1986) Phys. Rev. , vol.B33 , pp. 8822
    • Perdew, J.P.1
  • 62
    • 4043083704 scopus 로고
    • (e) Perdew, J. P. Phys. Rev. 1986, B33, 8822.; Phys. Rev. B 1986, 34, 7406.
    • (1986) Phys. Rev. B , vol.34 , pp. 7406
  • 68
    • 4344651269 scopus 로고    scopus 로고
    • TURBOMOLE basis set library
    • (e) TURBOMOLE basis set library.
  • 71
    • 4344716285 scopus 로고    scopus 로고
    • note
    • 16 denotes the metalla(IV)cycloheptane 7C and -nonane 9C intermediates, respectively.
  • 72
    • 4344565115 scopus 로고    scopus 로고
    • note
    • A compilation of all data related to this analysis can be found in Tables S1 and S2, included in the Supporting Information, for the metallacycle growth and decomposition processes, respectively.
  • 73
    • 4344569723 scopus 로고    scopus 로고
    • note
    • -1, which is essentially due to enhanced steric interactions. The influence of steric factors on the oligomerization reaction course, however, will be the subject of a forthcoming investigation.
  • 83
    • 4344703535 scopus 로고    scopus 로고
    • note
    • ‡ value represents the difference of the free-energy barriers for competing decomposition and growth steps for a particular metallacycle intermediate.
  • 84
    • 4344572094 scopus 로고    scopus 로고
    • note
    • 3) for the various selective 1-hexene-generating Zr and Hf catalysts, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.