Energy profile benzaldehyde

Figure 2.P25 shows the calculated [B3LYP/6-31G(4,/f)] reaction energy profile for the aldol addition of benzaldehyde and cyclohexanone catalyzed by alanine. The best TSs leading to (S,R) (R,S) (S,S) and (R,R) products are given. What factors favor the observed (R,S) product ... 

Fig. 2.P25. Top Reaction energy profile for alanine-catalyzed aldol reaction of benzaldehyde and cyclohexanone. Bottom Diastereomeric transition structures. Reproduced from Angew. Chem. Int. Ed. Engl., 44, 7028 (2005), by permission of Wiley-VCH...

FIGURE 53. Calculated stationary points at the HF level for the addition of Me3SnO-C(Me)=CH2 to benzaldehyde with and without Br-. Precursor complexes 23 and 23(Br ), transition states 24 and 24(Br ) and products 25 and 25(Br ). Bond distances are in A. See Figure 54 for the corresponding energy profiles. Reprinted with permission from Reference 171. Copyright 2000 American Chemical Society... 

FIGURE 4. Potential energy profiles for the reaction of tin enolates with benzaldehyde according to equations 50 and 51 (left) and with 1-bromopropane according to equations 52 and 53 (right). Reprinted with permission from M. Yasuda, K. Chiba and A. Baba, J. Am. Chem. Soc., 122, 7549. Copyright 2000 American Chemical Society... 

Figure 2. MMX89 energy profile along the P-C-C-O dihedral angle for the global minima of the Z and E-oxaphosphetane generating metallated betaines of die reaction of benzylidenetriphenylphosphorane (1) with benzaldehyde.

FIGURE 8.11 Energy profile of the stationary points for benzaldehyde pyrolysis reaction. 

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