State correlation diagram hydrogen abstraction

Fig. 15 State correlation diagram for hydrogen abstraction by ketones. (Adapted from Salem, 1974)...

Figure 4.18. State correlation diagram for hydrogen atom abstraction by a cai nyl compound derived from the natural orbital correlations. The configuration correlations are shown by dotted lines, taking into account the interaction yields the correlations shown by solid and broken lines for singlet and triplet states, respectively.

Figure 7.Z3. Perpendicular hydrogen abstraction reactions a) the natural orbital correlation diagram and b) the resulting state correlation diagram (adapted from Bigot, 1980).

Figure 6.21. State correlation diagram for the photochemical hydrogen abstraction, as calculated for the system formaldehyde + methane (by permission from Devaquet et al., 1978).

Hydrogen abstraction is discussed again below in connection with MO Following there we complete the discussion, obtaining a correlation diagram and showing that the reaction is, indeed, continuous to ground state and allowed as shown. 

One example of interest is the hydrogen abstraction process by the triplet n-tt excited state of a ketone. The correlation diagram is shown in Fig. 11. 

It is seen with such correlation diagrams that the n-iu excited state in reactions such as hydrogen abstraction, Type II fission, etc. proceeds directly to the ground state of product (note the heavy line in Fig. 12). This paraphrases the Zimmerman 1961-63 n-it theory in slightly different language but arrives at this same conclusion. 

The correlation diagram for hydrogen abstraction by a ketone has been derived in Example 4.5 (Section 4.2.3). From this diagram it can be concluded that no reaction is to be expected from the ( r,jr ) states for the in-plane... 

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