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Volumn 136, Issue 23, 2014, Pages 8252-8260

Mechanistic study of chemoselectivity in ni-catalyzed coupling reactions between azoles and aryl carboxylates

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLATION; CATALYSIS; CHEMICAL ACTIVATION; ENERGY MANAGEMENT; ESTERIFICATION; ESTERS;

EID: 84902262089     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja4127455     Document Type: Article
Times cited : (113)

References (84)
  • 44
    • 70450206724 scopus 로고    scopus 로고
    • revision B01; Gaussian, Inc. Wallingford, CT.
    • Frisch, M. J., Gaussian 09, revision B01; Gaussian, Inc.: Wallingford, CT, 2010.
    • (2010) Gaussian 09
    • Frisch, M.J.1
  • 65
    • 56449107229 scopus 로고    scopus 로고
    • Please see Figure S1 for more details. For selected study of isomerization among Ε2-complexes, see: Yoshikai, N.; Matsuda, H.; Nakamura, E. J. Am. Chem. Soc. 2008, 130, 15258
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 15258
    • Yoshikai, N.1    Matsuda, H.2    Nakamura, E.3
  • 70
    • 84890738094 scopus 로고    scopus 로고
    • All efforts in locating the transition state connecting P-Int5 and P-Int6 failed. Nonetheless, this transformation is suggested to be feasible: the energy barrier of CO dissociation from Ni(0) center is calculated to be about +18 kcal/mol, and the thermodynamic stability of higher-valent metal carbonyl complex is relatively lower than that of the low-valent metal carbonyl complex: Crabtree, R. H. The Organometallic Chemistry of the Transition Metals, 4 th ed.; John Wiley & Sons, Inc.: Hoboken, NJ, 2005. In this context, the energy barrier of CO dissociation from Ni(II) center of P-Int5 was expected to be even lower.
    • (2005) The Organometallic Chemistry of the Transition Metals
    • Crabtree, R.H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.