Understanding the Polar Character Trend in a Series of Diels-Alder Reactions Using Molecular Quantum Similarity and Chemical Reactivity Descriptors

Figure 1

The transition structures (TSs) to the reactions (R) between cyclopentadiene (Cp) and ethylene derivatives (Et-nCN) with 𝑛 = 0, 1, 2, 2-cis, 2-trans, 3, 4, and their cycloadducts (C), respectively.