Histammonium lead bromide

Chemical Formula: C5H11N3PbBr4
IUPAC: 4-(2-ethanaminium)-1H-imidazol-3-ium) lead(II) bromide
Alternate Names: 4-(2-ethanaminium)-1H-imidazol-3-ium) tetrabromoplumbate(II), (HA)PbBr4, (HIS)PbBr4, (C5H11N3)PbBr4
Organic: C5H11N3
Inorganic: PbBr4, Lead bromide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 5 , H : 11 , N : 3 , Pb : 1 , Br : 4
Atomic structure Verified

See all entries for this property (3 total)

Origin: experimental (T = 100.0 K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:10.5412 (±0.0013) Å
b:11.5023 (±0.0014) Å
c:11.925 (±0.0014) Å
α:90°
β:109.996 (±0.003)°
γ:90°
Fixed parameters:
  • temperature = 100.0 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: Histamine, PbBr2, HBr

Product: plate-like yellow crystals

Description: 0.34 mmol PbBr2, 0.35 mmol histamine are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D8 Venture diffractometer equipped with a Photon 100 CMOS detector employing Mo Kα radiation (λ=0.71073 Å).

M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.

Entry added on: Aug. 15, 2019, 5:53 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:47 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 494 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

 

Atomic coordinates


Absorption spectrum Verified
Origin: experimental (T = 298.0 K)
Space group: P 2₁/c
Y. Li, C. Lin, G. Zheng, and J. Lin, Synthesis, structure and optical properties of new organic–inorganic haloplumbates complexes (C5H10N3)PbX4 (X=Br, Cl), (C2H2N4)PbBr3, Journal of Solid State Chemistry 180, 173‑179 (2007). doi: 10.1016/j.jssc.2006.09.023.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: PbBr2 (99.99%), Histamine (98%), HBr (40%), DMF

Product: Thin film on quartz substrate

Description: For preparing the crystals, equimolar amounts of PbBr2 (0.367g, 0.1 mmol) and histamine (0.113 g 0.1 mmol) were mixed in 10mL HBr by heating and refluxing at 90 °C and then, the solution slowly cooled to room temperature in N2 atmosphere. 10 mg of the obtained single crystals were dissolved into 1.5 mL dried DMF solution and then the solution was coated onto a quartz substrate. The spin cycle spent 1 s accelerating to 1200 rmp and then stayed at that rotation speed for 50 s. The substrate was then heated to 100 °C for 20 minutes.

Method: UV-Vis absorption

Description: A Hitachi F-4100 spectrofluorimeter was used to record the UV-Vis absorption spectra.

Y. Li, C. Lin, G. Zheng, and J. Lin, Synthesis, structure and optical properties of new organic–inorganic haloplumbates complexes (C5H10N3)PbX4 (X=Br, Cl), (C2H2N4)PbBr3, Journal of Solid State Chemistry 180, 173‑179 (2007). doi: 10.1016/j.jssc.2006.09.023.

Extraction method: Engauge digitizer
Entry added on: July 17, 2020, 3:51 p.m.
Entry added by: Andrew Levin NREL
Last updated on: May 5, 2022, 1:41 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1419 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

Photoluminescence Verified
Origin: experimental (T = 298.0 K)
Space group: P 2₁/c
Y. Li, C. Lin, G. Zheng, and J. Lin, Synthesis, structure and optical properties of new organic–inorganic haloplumbates complexes (C5H10N3)PbX4 (X=Br, Cl), (C2H2N4)PbBr3, Journal of Solid State Chemistry 180, 173‑179 (2007). doi: 10.1016/j.jssc.2006.09.023.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: PbBr2 (99.99%), Histamine (98%), HBr (40%), DMF

Product: Thin film on quartz substrate

Description: For preparing the crystals, equimolar amounts of PbBr2 (0.367g, 0.1 mmol) and histamine (0.113 g 0.1 mmol) were mixed in 10mL HBr by heating and refluxing at 90 °C and then, the solution slowly cooled to room temperature in N2 atmosphere. 10 mg of the obtained single crystals were dissolved into 1.5 mL dried DMF solution and then the solution was coated onto a quartz substrate. The spin cycle spent 1 s accelerating to 1200 rmp and then stayed at that rotation speed for 50 s. The substrate was then heated to 100 °C for 20 minutes.

Method: Photoluminescence Spectroscopy

Description: A Hitachi F-4500 spectrofluorimeter was used for emission spectra. A 150 W xenon lamp was used as the excitation source.

Y. Li, C. Lin, G. Zheng, and J. Lin, Synthesis, structure and optical properties of new organic–inorganic haloplumbates complexes (C5H10N3)PbX4 (X=Br, Cl), (C2H2N4)PbBr3, Journal of Solid State Chemistry 180, 173‑179 (2007). doi: 10.1016/j.jssc.2006.09.023.

Extraction method: Engauge digitizer
Entry added on: July 17, 2020, 3:54 p.m.
Entry added by: Andrew Levin NREL
Last updated on: May 5, 2022, 1:48 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1421 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!


License

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