S-1-(1-naphthyl)ethylammonium lead bromide: atomic structure

Atomic structure Verified
2D chiral perovksite
Origin: experimental (T = 298.0 K)
Space group: P 2₁
Lattice parameters

Crystal system: monoclinic

a:8.7537 (±0.00019) Å
b:7.95502 (±0.00016) Å
c:19.5038 (±0.0005) Å
α:90°
β:93.806 (±0.002)°
γ:90°
Fixed parameters:
  • temperature = 298.0 K
M. K. Jana, R. Song, H. Liu, D. R. Khanal, S. M. Janke, R. Zhao, C. Liu, Z. V. Vardeny, V. Blum, and D. B. Mitzi, Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling., Nature Communications 11, 4699-1‑4699-10 (2020). doi: 10.1038/s41467-020-18485-7.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: S-1-(1-naphthyl)ethylamine, PbBr2

Product: S-1-(1-naphthyl)ethylammonium lead bromide

Description: A hot solution of PbBr2 (45 mg, 0.12 mmol) and S-1-(1-naphthyl)ethylamine (39 µL, 0.24 mmol ) in 0.5 ml aq. HBr and 1.2 ml deionized water in a sealed vial with an N2 atmosphere was slowly cooled from 95 °C to room temperature over 48 hr. The colorless, plate-like crystals were filtered, washed with diethyl ether, and vacuum-dried.

Method: Single crystal X-ray diffraction

Description: Single crystal X-ray diffraction (XRD) was performed at 298 K on a Rigaku XtaLAB Synergy-S diffractometer using Mo-Kα radiation (λ=0.710 Å) and X-ray tube operating at 50 kV and 30 mA.

M. K. Jana, R. Song, H. Liu, D. R. Khanal, S. M. Janke, R. Zhao, C. Liu, Z. V. Vardeny, V. Blum, and D. B. Mitzi, Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling., Nature Communications 11, 4699-1‑4699-10 (2020). doi: 10.1038/s41467-020-18485-7.

Extraction method: from author
Entry added on: Aug. 4, 2020, 1:52 p.m.
Entry added by: Manoj Kumar Jana Duke University
Last updated on: Aug. 22, 2022, 3:22 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Atomic coordinates



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