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Volumn 131, Issue 39, 2009, Pages 14088-14100

Mechanistic studies on the formation of linear polyethylene chain catalyzed by palladium phosphine-sulfonate complexes: Experiment and theoretical studies

Author keywords

[No Author keywords available]

Indexed keywords

1-ALKENES; 1-HEXENE; CATALYST SYSTEM; CHAIN PROPAGATION; CHAIN TRANSFER; CIS/TRANS ISOMERIZATION; ENERGY TRANSITION STATE; ETHYLENE OLIGOMERIZATIONS; ETHYLENE PRESSURE; HIGH MOLECULAR WEIGHT; HYDRIDE ELIMINATION; LINEAR POLYETHYLENE; LOW CONCENTRATIONS; LUTIDINE; MECHANISTIC STUDIES; MODEL COMPLEXES; OXYGEN ATOM; PALLADIUM COMPLEXES; PSEUDOROTATION; RELATIVE ENERGIES; SULFONATE GROUPS; THEORETICAL STUDY; TRANSITION STATE;

EID: 70349619636     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9047398     Document Type: Article
Times cited : (134)

References (57)
  • 25
    • 70349633119 scopus 로고    scopus 로고
    • note
    • Pr is more stable than its iso-alkyl isomer (an analogue of 13+pyridine) due to the bulkiness of the ligand 1a and of the lutidine.
  • 32
    • 70349619920 scopus 로고    scopus 로고
    • note
    • Additionally, we found that Pd complexes bearing alkylphosphine-sulfonate ligands are also effective catalysts for the production of highly linear polyethylene. See Supporting Information.
  • 33
    • 20944446760 scopus 로고    scopus 로고
    • Although cis/trans isomerization reactions of a series of Pd phosphine-sulfonate complexes were proposed by Ziegler et al. in reference 15 the structures of the TSs were not fully reported. See also: (a)
    • Although cis/trans isomerization reactions of a series of Pd phosphine-sulfonate complexes were proposed by Ziegler et al. in reference 15 the structures of the TSs were not fully reported. See also: (a) Haras, A.; Michalak, A.; Rieger, B.; Ziegler, T. J. Am. Chem. Soc. 2005, 127, 8765-8774.
    • (2005) J. Am. Chem. Soc. , vol.127 , pp. 8765-8774
    • Haras, A.1    Michalak, A.2    Rieger, B.3    Ziegler, T.4
  • 36
    • 0012927853 scopus 로고    scopus 로고
    • For some examples of the studies on cis/trans isomerization reactions of square-planar Pd complexes, see: (a)
    • For some examples of the studies on cis/trans isomerization reactions of square-planar Pd complexes, see: (a) Deubel, D. V.; Ziegler, T. Organometallics 2002, 21, 4432-4441.
    • (2002) Organometallics , vol.21 , pp. 4432-4441
    • Deubel, D.V.1    Ziegler, T.2
  • 41
    • 0034228416 scopus 로고    scopus 로고
    • Similar results were obtained in the case of other olefin polymerization catalysts bearing unsymmetric bidentate ligands. For example,(a)
    • Similar results were obtained in the case of other olefin polymerization catalysts bearing unsymmetric bidentate ligands. For example,(a) Chan, M. S. W.; Deng, L. Q.; Ziegler, T. Organometallics 2000, 19, 2741-2750.
    • (2000) Organometallics , vol.19 , pp. 2741-2750
    • Chan, M.S.W.1    Deng, L.Q.2    Ziegler, T.3
  • 43
    • 70349610571 scopus 로고    scopus 로고
    • note
    • (c) See also references 15, 22a,b, and 24a.
  • 44
    • 70349626292 scopus 로고    scopus 로고
    • note
    • More detailed analysis on ethylene insertion regarding the nature of the unsymmetric character of this ligand is described in Supporting Information.
  • 45
    • 70349633118 scopus 로고    scopus 로고
    • note
    • Relative electronic energy of TS(8′-9′) is lower than that of 9′. This indicates the existence of another lower-energy intermediate before 9′. By IRC calculation from TS(8′-9′), an intermediates which can be recognized as "9′ + pyridine" was obtained. In fact, the relative electronic energy of "9′ + pyridine" was lower than that of 9′; however, the Gibbs free energy was higher than that of 9′.
  • 48
    • 70349624569 scopus 로고    scopus 로고
    • note
    • Ph.
    • , vol.8


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.