A Quantum Chemical Study on Structures and Electronic (Hyper)polarizabilities of 2,2′-Biselenophene Rotamers

Figure 1

Equilibrium structures of 2,2′-biselenophene in gas. Bond lengths in Å, angles in degrees. 𝛽_𝜇(syngauche) = 263.5 a.u., 𝛽_𝜇(antigauche) = 52.6 a.u. Colors: white (hydrogen), grey (carbon), and yellow (selenium).