Crystal structure, phase transition, and disorder in pyridinium methanesulfonate

Jesariew, Dominik; Ilczyszyn, Marek

doi:10.1016/j.jpcs.2017.01.001

Cited by 3 publications

(6 citation statements)

References 23 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The order–disorder phase transitions and molecular motions of the PyH + cation in various compounds have been studied [ 36 , 37 , 38 , 39 , 40 , 44 , 45 , 46 , 47 ]. Pyridinium internal vibrational modes are shown to be sensitive to such phase transitions [ 48 , 49 , 50 , 51 ].…”

Section: Resultsmentioning

confidence: 99%

“…We would like to note that the assignment of vibrational modes in the spectra of these molecules is a subject of discussion in the literature. To denote the vibrational modes of the PyH + cation, we follow the Wilson notation [ 53 ], which was introduced to denote vibrational modes of the benzene C 6 H 6 molecule and has been commonly used for the vibrational modes assignment of C 6 H 6 derivatives [ 49 , 51 , 54 ].…”

Section: Resultsmentioning

confidence: 99%

“…Here, we adopted the notation of ν 8 , ν 9 , ν 14 , ν 15 , ν 18 and ν 19 modes of benzene from Gardner et al’s work [ 55 ]. Notation in other works may differ [ 51 , 54 ].…”

Section: Resultsmentioning

confidence: 99%

“…The order-disorder phase transitions and molecular motions of the PyH + cation in various compounds have been studied [36][37][38][39][40][44][45][46][47]. Pyridinium internal vibrational modes are shown to be sensitive to such phase transitions [48][49][50][51]. The crystal structure of PyPbX3 (X − = I − , Br − ) perovskites consists of 1D chains of face-shared lead halide octahedra and tightly packed PyH + cations between them (Figure 1b) [31,32,41,42].…”

Section: Synthesis and Crystal Structurementioning

confidence: 99%

“…Here, we adopted the notation of ν8, ν9, ν14, ν15, ν18 and ν19 modes of benzene from Gardner et al's work [55]. Notation in other works may differ [51,54]. Three vibration modes (ν16a, ν10a, and ν17a) have the A2 symmetry.…”

Section: Vibrational Spectra Summarymentioning

confidence: 99%

See 4 more Smart Citations

Internal Vibrations of Pyridinium Cation in One-Dimensional Halide Perovskites and the Corresponding Halide Salts

Samsonova,

Mikheleva,

Bulanin

et al. 2023

Molecules

View full text Add to dashboard Cite

We investigate vibrations of the pyridinium cation PyH+ = C5H5NH+ in one-dimensional lead halide perovskites PyPbX3 and pyridinium halide salts PyHX (X− = I−, Br−), combining infrared absorption and Raman scattering methods at room temperature. Internal vibrations of the cation were assigned based on density functional theory modeling. Some of the vibrational bands are sensitive to perovskite or the salt environment in the solid state, while halide substitution has only a minor effect on them. These findings have been confirmed by 1H, 13C and 207Pb solid-state nuclear magnetic resonance (NMR) experiments. Narrower vibrational bands in perovskites indicate less disorder in these materials. The splitting of NH-group vibrational bands in perovskites can be rationalized the presence of nonequivalent crystal sites for cations or by more exotic phenomena such as quantum tunneling transition between two molecular orientations. We have shown how organic cations in hybrid organic–inorganic crystals could be used as spectators of the crystalline environment that affects their internal vibrations.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

“…Here, we adopted the notation of ν 8 , ν 9 , ν 14 , ν 15 , ν 18 and ν 19 modes of benzene from Gardner et al’s work [ 55 ]. Notation in other works may differ [ 51 , 54 ].…”

Section: Resultsmentioning

confidence: 99%