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

Figure 2

The S function or reduced density gradient (RDG) surface at 0.5 isovalue at the left and the S function versus function versus sign (λ₂)ρ plot at the right of cis-butene in its (a) most stable conformer, along with its molecular graph; (b) second most stable conformer; and (c) most unstable conformer. The optimized geometries of trans- and cis-butene along with C-C-C bond angle in degrees.

(a)

(b)

(c)

(d)