N-(3-aminopropyl)imidazole lead bromide

Chemical Formula: (C3H4N2(CH2)3NH3)PbBr4
IUPAC: N-(3-aminopropyl)imidazole lead (II) bromide
Alternate Names: (API)PbBr4, N-(3-aminopropyl)imidazole lead bromide, N-(3-aminopropyl)imidazole tetrabromoplumbate(II)
Organic: C6H13N2
Inorganic: PbBr4, Lead bromide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 6 , H : 13 , N : 3 , Pb : 1 , Br : 4
Atomic structure Verified
Origin: experimental (T = 293.0 (±2.0) K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:6.1661 (±0.0003) Å
b:27.6363 (±0.0012) Å
c:8.4503 (±0.0004) Å
α:90°
β:95.712 (±0.001)°
γ:90°
Fixed parameters:
  • temperature = 293.0 (±2.0) K
Y. Li, C. Lin, G. Zheng, Z. Cheng, H. You, W. Wang, and J. Lin, Novel 〈110〉-Oriented Organic-Inorganic Perovskite Compound Stabilized by N-(3-Aminopropyl)imidazole with Improved Optical Properties, Chemistry of Materials 18, 3463‑3469 (2006). doi: 10.1021/cm060714u.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: N-(3-aminopropyl)imidazole (API, 98%, Aldrich), PbBr2 (99.999%, Aldrich), HBr (≥40%, Beijing Chemical Industry Co., Ltd.)

Product: Single crystals

Description: A solution of PbBr2, API, and HBr was heated to 70 degrees Celsius and then cooled at 3 degrees per hour until reaching room temperature. This was performed in a nitrogen atmosphere and the crystals precipitated upon cooling.

Method: Single-crystal X-ray diffraction

Description: A Rigaku RAXIS-RAPID image plate diffractometer was used to measure SCXRD. The w-scan technique was employed, and Mo Kalpha radiation was used. The SHELXS-97 program was used to solve the structure and the SHELXL-97 program was used to refine it via the full-matrix least-squares techniques.

Y. Li, C. Lin, G. Zheng, Z. Cheng, H. You, W. Wang, and J. Lin, Novel 〈110〉-Oriented Organic-Inorganic Perovskite Compound Stabilized by N-(3-Aminopropyl)imidazole with Improved Optical Properties, Chemistry of Materials 18, 3463‑3469 (2006). doi: 10.1021/cm060714u.

Extraction method: Manually extracted from a publication
Entry added on: July 16, 2020, 2:44 p.m.
Entry added by: Andrew Levin NREL
Last updated on: Aug. 15, 2022, 2:14 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1358 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


Photoluminescence excitation Verified
Origin: experimental (T = 298.0 K)
Y. Li, C. Lin, G. Zheng, Z. Cheng, H. You, W. Wang, and J. Lin, Novel 〈110〉-Oriented Organic-Inorganic Perovskite Compound Stabilized by N-(3-Aminopropyl)imidazole with Improved Optical Properties, Chemistry of Materials 18, 3463‑3469 (2006). doi: 10.1021/cm060714u.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: N-(3-aminopropyl)imidazole (API, 98%, Aldrich), PbBr2 (99.999%, Aldrich), HBr (≥40%, Beijing Chemical Industry Co., Ltd.), DMF

Product: Thin film on quartz substrate

Description: A solution of PbBr2, API, and HBr was heated to 70 degrees Celsius and then cooled at 3 degrees per hour until reaching room temperature. This was performed in a nitrogen atmosphere and the crystals precipitated upon cooling. Thin films were prepared via spin-coating. The crystals were dissolved into a DMF solution that was spin-coated onto a quartz substrate. The spinning cycle parameters were a spin rate of 1500 for 50 seconds and was followed by annealing the sample at 100 degrees Celsius for 20 minutes.

Method: Photoluminescence Excitation Spectroscopy

Description: A Hitachi F-4500 spectrofluorimeter using a 150 W xenon lamp was used to measure the photoluminescence excitation and emission spectra.

Y. Li, C. Lin, G. Zheng, Z. Cheng, H. You, W. Wang, and J. Lin, Novel 〈110〉-Oriented Organic-Inorganic Perovskite Compound Stabilized by N-(3-Aminopropyl)imidazole with Improved Optical Properties, Chemistry of Materials 18, 3463‑3469 (2006). doi: 10.1021/cm060714u.

Extraction method: Engauge digitizer
Entry added on: July 16, 2020, 2:52 p.m.
Entry added by: Andrew Levin NREL
Last updated on: Aug. 15, 2022, 2:20 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1359 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)
Y. Li, C. Lin, G. Zheng, Z. Cheng, H. You, W. Wang, and J. Lin, Novel 〈110〉-Oriented Organic-Inorganic Perovskite Compound Stabilized by N-(3-Aminopropyl)imidazole with Improved Optical Properties, Chemistry of Materials 18, 3463‑3469 (2006). doi: 10.1021/cm060714u.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: N-(3-aminopropyl)imidazole (API, 98%, Aldrich), PbBr2 (99.999%, Aldrich), HBr (≥40%, Beijing Chemical Industry Co., Ltd.), DMF

Product: Thin film on quartz substrate

Description: A solution of PbBr2, API, and HBr was heated to 70 degrees Celsius and then cooled at 3 degrees per hour until reaching room temperature. This was performed in a nitrogen atmosphere and the crystals precipitated upon cooling. Thin films were prepared via spin-coating. The crystals were dissolved into a DMF solution that was spin-coated onto a quartz substrate. The spinning cycle parameters were a spin rate of 1500 for 50 seconds and was followed by annealing the sample at 100 degrees Celsius for 20 minutes.

Method: Photoluminescence Excitation Spectroscopy

Description: A Hitachi F-4500 spectrofluorimeter using a 150 W xenon lamp was used to measure the photoluminescence excitation and emission spectra. Excitation wavelength of 360 nm was used for the emission spectra.

Y. Li, C. Lin, G. Zheng, Z. Cheng, H. You, W. Wang, and J. Lin, Novel 〈110〉-Oriented Organic-Inorganic Perovskite Compound Stabilized by N-(3-Aminopropyl)imidazole with Improved Optical Properties, Chemistry of Materials 18, 3463‑3469 (2006). doi: 10.1021/cm060714u.

Extraction method: Engauge digitizer
Entry added on: July 16, 2020, 2:53 p.m.
Entry added by: Andrew Levin NREL
Last updated on: Aug. 15, 2022, 2:27 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1360 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

All data is available under the Creative Commons license with attribution clause, described here and, in its full text, here.