Vibrational and optical properties of a one‐dimensional organic–inorganic crystal [C₆H₁₄N]PbI₃

Abstract

Self-assembled organic-inorganic [C 6 H 14 N]PbI 3 crystals were synthesized. The crystal structure consists of one-dimensional semiconductor chains formed by infinite PbI 6 face-sharing octahedra aligned along the a-axis. The organic cations are linked to the inorganic chains by N-H· · ·I hydrogen bonds and act as insulator barriers. The vibrational properties of [C 6 H 14 N]PbI 3 were studied using polarized Raman scattering and infrared (IR) absorption. The observed Raman and IR spectral features were identified by comparison with the vibrational properties of homologous compounds and with the vibrational wavenumbers calculated using the ab initio PM3 method. Moreover, the photoluminescence and diffuse reflectance of [C 6 H 14 N]PbI 3 single crystals, along with the UV-Vis absorption of spin-coated films, were measured. A strong green-blue luminescence due to radiative recombinations of 1D excitons is observed. The Stokes shift is estimated at 70 meV.

Synthesis, vibrational and optical properties of a new three-layered organic–inorganic perovskite (C4H9NH3)4Pb3I4Br6

“…(ii) A green luminescence around 520 nm, characteristic of PbI-based compounds and associated to electronic transitions between Pb (6s) orbital hybridised with the I (5p) orbital and 6(p) orbital of the Pb-I bonds [1,[20][21][22].…”

Optical properties and ab initio study on the hybrid organic–inorganic material [(CH3)2NH2]3[BiI6]

“…They show a good agreement with experimental data. Analysis of the Raman and IR spectra and the assignment has been performed by comparison with the spectra of homologous organic-inorganic hydrogen bonded compounds [25,26] and by visualization of the calculated vibration modes. The computed vibrational frequencies of [(CH 3 ) 2 NH 2 ] 3 [BiI 6 ] as well as their assignment from DFT and PM3 methods along with experimentally observed Raman and IR frequencies are collected in Table 4.…”

Structural, vibrational and optical properties of a new self assembled organic–inorganic nanowire crystal (C6H14N)2[BiBr5]. A Density Functional Theory approach

“…Within the inorganic component, the Bismuth bromide octahedra can be connected in one of three ways: face, edge or corner sharing forming naturally isolated molecules (0D) [14][15][16], infinite chains (1D) [17] or two dimensional (2D) networks. In conjunction with some current research works on these metal halides compounds, the crystal structure, optical properties and vibrational studies of many organic-inorganic crystals have been investigated in our laboratory [18][19][20][21][22]. Our last two published papers have been devoted to the X-ray diffraction, optical properties and vibrational studies as well as DFT calculations of C 4 H 16 N 3 BiBr 6 [21] and (C 6 H 14 N) 3 Bi 2 I 9 [22].…”