Figures index

From

Semi-Empirical Evaluation of the Probability of Structural Rearrangements in Nitrone Spin Traps

F. N. Dultsev, G. G. Dultseva

Chemical Engineering and Science. 2013, 1(2), 17-21 doi:10.12691/ces-1-2-1
  • Figure 1. Cyclization scheme for acyclic nitrone 1 and the energy diagram for cyclization with the participation of water: a – initial nitrone, b – intermediate state, c – product.
  • Figure 2. Cyclization of nitrone 2. A scheme and energy diagram: a – initial nitrone, b – its spin adduct with OH, c – cyclic product formed from the spin adduct; d – cyclic product formed from the initial nitrone without trapping OH radical
  • Figure 3. The structure of the adsorption complex during cyclization of nitrone 1 with the participation of water molecule
  • Figure 4. Cycle opening for nitrone 4, with the participation of water (not shown in the scheme), and the energy diagram: a – initial nitrone, b – adsorption complex, c – product.
  • Figure 5. The structure of the adsorption complex during cycle opening for nitrone 4. Hydrogen atoms are not shown. Water molecule (B) promotes bond rupture; the distance (a) between the corresponding C and N atoms increases