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Volumn 56, Issue 18, 2000, Pages 2805-2809

Correlation of reactivities of organocuprate(I) and zincate(II) with d- orbital energies of ate complexes

Author keywords

Conjugate addition; D orbital; Density functional theory; Organocuprate; Organozincate

Indexed keywords

COPPER DERIVATIVE; ORGANOMETALLIC COMPOUND;

EID: 0034724729     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4020(00)00135-6     Document Type: Article
Times cited : (49)

References (48)
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    • For the equal importance of nearly degenerate high-lying molecular orbitals in the FMO interactions, see:
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    • Activation barrier of Gibbs free energy from reactants to TS is 11.2 kcal/mol at 25°C and 1 atm at the B3LYP/631A level.
    • Activation barrier of Gibbs free energy from reactants to TS is 11.2 kcal/mol at 25°C and 1 atm at the B3LYP/631A level.
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    • Another approach to view this summary is that the nucleophilic action of a zinc(II) centered nucleophile must generate an unlikely Zn(IV) intermediate.
    • Another approach to view this summary is that the nucleophilic action of a zinc(II) centered nucleophile must generate an unlikely Zn(IV) intermediate.
  • 48
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    • 3D pictures and coordinates will be found on: http://www.chem.s.u-tokyo.ac.jp/~common/TH1999/title.html.
    • 3D pictures and coordinates will be found on: http://www.chem.s.u-tokyo.ac.jp/~common/TH1999/title.html.


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