International Scholarly Research Notices / 2013 / Article / Fig 2

Research Article

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

Figure 2

Simulated gas-phase Raman (a) and IR (b) spectra of 2,2′-biselenophene antigauche and syngauche conformations. Lorentz line shapes with half-width of 10 cm−1 are used. PBE0/6-31+pdd′ results.
251635.fig.002a
(a)
251635.fig.002b
(b)

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