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A molecular electron density theory study of the [3 + 2] cycloaddition reaction of nitrones with strained allenes

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Academic year: 2020

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Figure

Fig. 1 ELF localisation domains of benzyne 5. The two non-bonding V(C1) and V(C2) monosynaptic basins are represented in red.
Fig. 2 B3LYP/6-311G(d,p) Gibbs free energy pro file, in kcal mol 1 , of the 32CA reaction of nitrone 15 with CHDE 10.
Fig. 5 ELF attractors, together with the C4 –C5 valence basin pop- pop-ulations, in average number of electrons (e), ELF localisation domains and the proposed Lewis structures for allenes 10 and 18.

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