TY - JOUR

T1 - Polarized Raman Study of Internal Vibrations of the Organic Cation in 3-Cyanopyridinium Lead Tribromide Post-perovskite

AU - Samsonova, Anna Yu.

AU - Krauklis, Irina V.

AU - Chizhov, Yuri V.

AU - Selivanov, Nikita I.

AU - Emeline, Alexei V.

AU - Kapitonov, Yury V.

PY - 2023/4/3

Y1 - 2023/4/3

N2 - In this work, we apply polarized Raman spectroscopy for study of internal vibrations of the 3-cyanopyridinium cation in the halide post-perovskite (3cp)PbBr3 (3cp = 3-CN-C5H5NH+). For a single cation, the vibrational frequencies and intensities of the Raman signal were calculated using the density functional theory. Selection rules were established for vibrations of cations in the crystal. These rules together with modeling results were used to identify the internal vibrations of the cation in the Raman spectrum of the crystal. Narrow and isolated internal vibrations of cations could be used as spectators of the crystalline environment.

AB - In this work, we apply polarized Raman spectroscopy for study of internal vibrations of the 3-cyanopyridinium cation in the halide post-perovskite (3cp)PbBr3 (3cp = 3-CN-C5H5NH+). For a single cation, the vibrational frequencies and intensities of the Raman signal were calculated using the density functional theory. Selection rules were established for vibrations of cations in the crystal. These rules together with modeling results were used to identify the internal vibrations of the cation in the Raman spectrum of the crystal. Narrow and isolated internal vibrations of cations could be used as spectators of the crystalline environment.

UR - https://pubs.acs.org/doi/full/10.1021/acs.jpclett.3c00326

UR - https://www.mendeley.com/catalogue/31321b53-3240-396b-a5b8-d3cbd4626a39/

U2 - 10.1021/acs.jpclett.3c00326

DO - 10.1021/acs.jpclett.3c00326

M3 - Article

VL - 14

SP - 3445

EP - 3451

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

SN - 1948-7185

IS - 14

ER -