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

Figure 4

Optimized geometries of (a) most stable and (b) least stable conformers of but-1-ene; (c) optimized geometries of conformers of pent-1-ene; and (d) initial, nonoptimized linear, straight conformer and final, optimized conformer of pent-1-ene; (e) reduced density gradient surface at 0.5 isovalue of the most stable conformer of pent-1-ene.

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(b)

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(e)