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Volumn 61, Issue 2, 2005, Pages 417-422

Effect of electron-withdrawing substituents on the electrophilicity of carbonyl carbons

Author keywords

Carbonyl reactivity; DFT calculations; Electron withdrawing effects; Electrophilicity

Indexed keywords

CARBON; CARBONYL DERIVATIVE; PHENYLACETIC ACID DERIVATIVE;

EID: 9944225117     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tet.2004.10.085     Document Type: Article
Times cited : (33)

References (36)
  • 2
  • 21
    • 0003354199 scopus 로고
    • Geometry Optimization on Potential Energy Surface
    • D.R. Yarkony World Scientific Singapore
    • H.B. Schlegel Geometry Optimization on Potential Energy Surface D.R. Yarkony Modern Electronic Structure Theory 1994 World Scientific Singapore
    • (1994) Modern Electronic Structure Theory
    • Schlegel, H.B.1
  • 34
    • 0033617160 scopus 로고    scopus 로고
    • D.J. Tantillo, and K.N. Houk J. Org. Chem. 6 1999 3066 These authors recently studied the TSs for the addition-elimination reaction of phenyl acetate (1d) and hydroxide ion at the RHF/6-31+G* level. In the gas phase the reaction is concerted, but when aqueous solvation is considered through PCM and SCI-PCM calculations, the barrier to addition dramatically increases, and a stepwise addition-elimination pathway was predicted
    • (1999) J. Org. Chem. , vol.6 , pp. 3066
    • Tantillo, D.J.1    Houk, K.N.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.