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Volumn 7, Issue 4, 2001, Pages 800-807

A possible mechanism for enantioselectivity in the chiral epoxidation of olefins with [Mn(salen)] catalysts

Author keywords

Asymmetric catalysis; Density functional calculations; Epoxidations; Homogeneous catalysis; Molecular modeling

Indexed keywords

ALKENE; BIS(SALICYLIDENE)ETHYLENEDIAMINE; MANGANESE; UNCLASSIFIED DRUG;

EID: 0035895682     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20010216)7:4<800::AID-CHEM800>3.0.CO;2-1     Document Type: Article
Times cited : (106)

References (55)
  • 3
    • 0742300955 scopus 로고
    • (Eds.: G. Wilkinson, F. G. A. Stone, E. W. Abel, L. S. Hegedus), Pergamon, New York, chap. 11
    • E. N. Jacobsen in Comprehensive Organometallic Chemistry II, Vol. 12 (Eds.: G. Wilkinson, F. G. A. Stone, E. W. Abel, L. S. Hegedus), Pergamon, New York, 1995, chap. 11. 1.
    • (1995) Comprehensive Organometallic Chemistry II , vol.12 , pp. 1
    • Jacobsen, E.N.1
  • 32
    • 0003744120 scopus 로고    scopus 로고
    • Vrije Universiteit Amsterdam, Amsterdam, The Netherlands
    • ADF 2. 3.0, Vrije Universiteit Amsterdam, Amsterdam, The Netherlands, 1996.
    • (1996) ADF 2. 3.0
  • 53
    • 0006058646 scopus 로고    scopus 로고
    • note
    • Since H and tert-butyl ligands at the aromatic rings exhibit different electron-donating strengths, one might expect our calculations to show different energies for the TS of C-O bond formation. However, with the present QM/MM methods, only steric influences are considered at the interface between the QM and MM subunits.
  • 54
    • 0006063241 scopus 로고    scopus 로고
    • note
    • -1 higher in energy than the structure shown in Figure 2a.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.