Abstract
Abstract We measured 785 nm excited Raman and infrared spectra of pentacene-d 14 . The observed spectra were assigned on the basis of the Raman and infrared spectra calculated by the density functional theory (DFT) method at the B3LYP/6⬜311 + G** level. We measured 785 nm excited Raman spectrum of a pentacne-d 14 :C 60 bulk heterojunction film. The spectrum was assigned on the basis of the wavenumber shifts upon deuteration of pentacene. The assignments of the 1462 and 493 cm ↙1 A g bands of C 60 were confirmed. The 511, 453, and 256 cm ↙1 bands, which were observed only in pentacene:C 60 bulk heterojunction films, did not show large deuteration shifts. This result indicates that the 511, 453, and 256 cm ↙1 bands are attributed to activation of the silent modes of C 60 due to symmetry lowering .
Published Version
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