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Volumn 134, Issue 1, 2012, Pages 606-612

Reactivity and stability of dinuclear Pd(I) complexes: Studies on the active catalytic species, insights into precatalyst activation and deactivation, and application in highly selective cross-coupling reactions

Author keywords

[No Author keywords available]

Indexed keywords

ARYL CHLORIDE; CATALYTIC SPECIES; CHEMOSELECTIVE; COMPUTATIONAL STUDIES; CROSS COUPLING REACTIONS; DINUCLEAR; DISPROPORTIONATIONS; NEW APPLICATIONS; PRECATALYSTS; ROOM TEMPERATURE; SHORT REACTION TIME; SIDE PROCESS; SPECTROSCOPIC TECHNIQUE; SUZUKI CROSS COUPLING REACTIONS;

EID: 84855645711     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja209424z     Document Type: Article
Times cited : (156)

References (65)
  • 26
    • 0011512483 scopus 로고
    • The bond dissociation energy of a related Pd(I)-Pd(I) dimer was previously determined to be between 21 and 29 kcal/mol. See: Lee, C. L.; James, B. R.; Nelson, D. A.; Hallen, R. T. Organometallics 1984, 3, 1360
    • (1984) Organometallics , vol.3 , pp. 1360
    • Lee, C.L.1    James, B.R.2    Nelson, D.A.3    Hallen, R.T.4
  • 32
    • 0037419179 scopus 로고    scopus 로고
    • This is in line with previous comparative kinetic studies of various precatalysts with the Pd(I) dimer in amination reactions, see: Hooper, M. W.; Utsunomiya, M.; Hartwig, J. F. J. Org. Chem. 2003, 68, 2861
    • (2003) J. Org. Chem. , vol.68 , pp. 2861
    • Hooper, M.W.1    Utsunomiya, M.2    Hartwig, J.F.3
  • 38
    • 79954451498 scopus 로고    scopus 로고
    • Dispersion correction was previously shown to be beneficial in the treatment of dimeric metal complexes, see: Grimme, S.; Djukic, J.-P. Inorg. Chem. 2011, 50, 2619
    • (2011) Inorg. Chem. , vol.50 , pp. 2619
    • Grimme, S.1    Djukic, J.-P.2
  • 42
    • 77952819729 scopus 로고    scopus 로고
    • Revision A.01 [see SI for full reference]
    • Frisch, M. J.; Gaussian09, Revision A.01 [see SI for full reference].
    • Gaussian09
    • Frisch, M.J.1
  • 43
    • 33746102110 scopus 로고    scopus 로고
    • Gas-phase energies are given. See ref 22 for application of D-DFT in Pd catalysis. B3LYP was previously found to be an adequate method to study such transformations: de Jong, G. T.; Bickelhaupt, F. M. J. Chem. Theory Comput. 2006, 2, 322
    • (2006) J. Chem. Theory Comput. , vol.2 , pp. 322
    • De Jong, G.T.1    Bickelhaupt, F.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.