Deeper Insights into Conformational Analysis of cis-Butene and 1-Alkenes as Monomers and Dimers: QTAIM, NCI, and DFT Approach

Figure 8

Optimized complex conformers of hex-1-ene along with their corresponding electronic energy of complex formation, ΔE. (a) ΔE = 0. (b) ΔE = 0.44 kcal·mol⁻¹. (c) ΔE = 0.82 kcal·mol⁻¹. (d) ΔE = 1.51 kcal·mol⁻¹. (e) ΔE = 1.82 kcal·mol⁻¹. (f) ΔE = 0.88 kcal·mol⁻¹. (g) ΔE = 0.56 kcal·mol⁻¹. (h) ΔE = 0.88 kcal·mol⁻¹. (i) ΔE = 0.44 kcal·mol⁻¹.

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