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Volumn 17, Issue 52, 2011, Pages 14974-14986

Does a concerted non-insertive mechanism prevail over a σ-insertive mechanism in catalytic cyclohydroamination by magnesium tris(oxazolinyl) phenylborate compounds? A computational study

Author keywords

alkaline earth metals; density functional calculations; hydroamination; magnesium; reaction mechanisms

Indexed keywords

ACTIVATION BARRIERS; ACTIVE CATALYST; ALKALINE EARTH; AMINO PROTON; AMINOLYSIS; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY-FUNCTIONAL CALCULATIONS; EMPIRICAL RATE LAW; HYDROAMINATIONS; INTRAMOLECULAR HYDROAMINATION; KEY FEATURE; MECHANISTIC PATHWAYS; METAL CENTRES; METAL-BASED CATALYSTS; RATE LAWS; RATIONAL DESIGN; REACTION MECHANISM; RESTING STATE; RING CLOSURES; SINGLE-STEP; STRUCTURE-REACTIVITY RELATIONSHIPS;

EID: 83755205287     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201101490     Document Type: Article
Times cited : (34)

References (179)
  • 136
    • 78650120872 scopus 로고    scopus 로고
    • S. Tobisch, Dalton Trans. 2011, 40, 249; aminodiene substrates
    • (2011) Dalton Trans. , vol.40 , pp. 249
    • Tobisch, S.1
  • 140
    • 77949331957 scopus 로고    scopus 로고
    • For a computational study of organoactinide-assisted intramolecular hydroamination of aminodienes see:, S. Tobisch, Chem. Eur. J. 2010, 16, 3441.
    • (2010) Chem. Eur. J. , vol.16 , pp. 3441
    • Tobisch, S.1
  • 155
    • 69349097922 scopus 로고    scopus 로고
    • University of Karlsruhe: Karlsruhe, Germany
    • R. Ahlrichs, F. Furche, C. Hättig, W. Klopper, M. Sierka, F. Weigend, TURBOMOLE, version 5.9; University of Karlsruhe: Karlsruhe, Germany, 2006; http://www.turbomole.com.
    • (2006) TURBOMOLE, Version 5.9
    • Ahlrichs, R.1
  • 179
    • 0001104791 scopus 로고    scopus 로고
    • (Ed.: P. v. R. Schleyer), Wiley, Chichester
    • A. Klamt, in Encyclopedia of Computational Chemistry, Vol. 1 (Ed.:, P. v. R. Schleyer,), Wiley, Chichester, 1998, 604-615.
    • (1998) Encyclopedia of Computational Chemistry , vol.1 , pp. 604-615
    • Klamt, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.