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Volumn 24, Issue 10, 2005, Pages 2319-2330

What makes for a good catalytic cycle? a theoretical study of the role of an anionic palladium(0) complex in the cross-coupling of an aryl halide with an anionic nucleophile

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CATALYSTS; CHEMICAL BONDS; HYDROGEN; OXIDATION; REACTION KINETICS; SUBSTITUTION REACTIONS; SUBSTRATES;

EID: 18844392282     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om050160p     Document Type: Article
Times cited : (219)

References (57)
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    • Su, M.1    Chu, S.2
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    • (c) For experimental work on the chelate effect: Portnoy, M.; Milstein, D. Organometallics 1993, 12, 1665-1673.
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    • (d) For a recent DFT study of the oxidative addition using a chelated Pd(0) with a diphoshane ligand, see: Senn, H. M.; Ziegler, T. Organometallics 2004, 23, 2980.
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    • note
    • As pointed out by a reviewer, reducing the energy span does not always bring advantage to a catalytic cycle, e.g., in cases where there are a few preequilibrium steps and the intermediate product after the highest transition state is unstable relative to the species in the first steps. This is not the case in the present cycles.
  • 36
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    • For computational work on organometallic species, including Pd, using DFT and other methods, see for example: (a) Niu, S.; Hall, M. B. Chem. Rev. 2000, 100, 353-405.
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    • Niu, S.1    Hall, M.B.2
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    • note
    • H,6.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.