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Volumn 79, Issue 2, 2014, Pages 608-617

Experimental and theoretical study on palladium-catalyzed c-p bond formation via direct coupling of triarylbismuths with p(o)-h compounds

Author keywords

[No Author keywords available]

Indexed keywords

PALLADIUM; TRANSITION METALS;

EID: 84896789546     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo402392t     Document Type: Article
Times cited : (77)

References (133)
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    • and references cited therein
    • (a) Bao, M.; Hayashi, T.; Shimada, S. Organometallics 2007, 26, 1816-1822 and references cited therein.
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    • Bao, M.1    Hayashi, T.2    Shimada, S.3
  • 85
    • 84887022004 scopus 로고    scopus 로고
    • In the oxidative addition step, the monophosphine ligand pathway is preferred to the bis-ligated one
    • In the oxidative addition step, the monophosphine ligand pathway is preferred to the bis-ligated one: (a) Liu, L.; Zhang, S.; Chen, H.; Lv, Y.; Zhu, J.; Zhao, Y. Chem. Asian J. 2013, 8, 2592-2595.
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    • Liu, L.1    Zhang, S.2    Chen, H.3    Lv, Y.4    Zhu, J.5    Zhao, Y.6
  • 110
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    • According to the Eyring equation, i.e., k = (kBT/h) exp(-ΔG/RT), where k is rate constant, kB is Boltzmann's constant, T is the temperature, ΔG is the activation free energy, R is the gas constant, and h is Planck's constant, we evaluate the barrier. Assuming the halflife of this reaction is 24 h and the concentration of each reactant is 1 mol/L, we obtain the second-order rate constant k = 1.2 × 10-5 L/mol·s. Therefore, ΔG is 30.4 kcal/mol at 100 °C
    • According to the Eyring equation, i.e., k = (kBT/h) exp(-ΔG/RT), where k is rate constant, kB is Boltzmann's constant, T is the temperature, ΔG is the activation free energy, R is the gas constant, and h is Planck's constant, we evaluate the barrier. Assuming the halflife of this reaction is 24 h and the concentration of each reactant is 1 mol/L, we obtain the second-order rate constant k = 1.2 × 10-5 L/mol·s. Therefore, ΔG is 30.4 kcal/mol at 100 °C.
  • 112
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    • Revision E.01
    • Gaussian 03, Revision E.01:
    • Gaussian 03


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.