Penta- 1,3-dienes, -hydrogen shifts

A density functional theory computational approach has been used " to investigate the [1,5]-hydrogen shift in (z)-penta-l,3-diene. Ab initio calculations of the activation barriers to proton transfer in nitrogen derivatives have been computed and these values used to show that the proton transfer in pyrazole is formally a... 

Figure D.6 Atom numbering for the transition structure for the [l,5]-hydrogen shift in (Z)T,3-penta diene...

Suprafacial (allowed) and antarafacial (forbidden) [1,5] hydrogen shifts in ground state 1,3-penta-diene-1,1-c/2-... 

Figure 13.24 Huckel transition state (no sign inversion in the orbital basis) of the transition state of the 1,5-sigmatropic shift of penta-1,3-diene. The ring current includes the hydrogen atom that is transferred during...

---