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Deprotonation of Enoxy Radicals: Theoretical Validation of a 50-Year-Old Mechanistic Proposal (CROSBI ID 130222)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Smith, David Matthew ; Buckel, Wolfgang ; Zipse, Hendrik Deprotonation of Enoxy Radicals: Theoretical Validation of a 50-Year-Old Mechanistic Proposal // Angewandte Chemie. International edition, 42 (2003), 16; 1867-1870. doi: 10.1002/anie.200250502

Podaci o odgovornosti

Smith, David Matthew ; Buckel, Wolfgang ; Zipse, Hendrik

engleski

Deprotonation of Enoxy Radicals: Theoretical Validation of a 50-Year-Old Mechanistic Proposal

Almost 50 years ago, Sir John W. Cornforth suggested that an enoxy radical (derived by a-H-atom abstraction in a mechanism similar to that proposed for the dehydration of 4-hydroxybutyryl-CoA) might undergo facile deprotonation to a ketyl radical anion. However, this suggestion has not since been proven by any experimental or theoretical data. Herein, we aim to quantify the acidity of the b position of the enoxy radical. We wish to determine whether the acidity of this radical is sufficiently enhanced over the closed-shell thioester to explain the apparent deprotonation at the unactivated position, or whether additional factors must be invoked to arrive at a satisfactory mechanism.

ab initio calculations ; acidity ; C-H activation

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Podaci o izdanju

42 (16)

2003.

1867-1870

objavljeno

1433-7851

1521-3773

10.1002/anie.200250502

Povezanost rada

Kemija, Biologija

Poveznice