1,8-octyldiammonium lead iodide

Chemical Formula: C8H22N2PbI4
IUPAC: octane-1,8-diaminium lead (II) iodide
Alternate Names: OdAPbI4, [NH3(CH2)8NH3]PbI4, octane-1,8-diaminium tetraiodoplumbate(II)
Organic: C8H22N2
Inorganic: PbI4, Lead iodide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 8 , H : 22 , N : 2 , Pb : 1 , I : 4
Atomic structure Verified
Origin: experimental (T = 200.0 (±2.0) K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:13.73429966 Å
b:8.343500137 Å
c:9.004099846 Å
α:90°
β:106.5770035°
γ:90°
Fixed parameters:
  • temperature = 200.0 (±2.0) K
M. Safdari, P. H. Svensson, M. T. Hoang, I. Oh , L. Kloo, and J. M. Gardner, Layered 2D alkyldiammonium lead iodide perovskites: synthesis, characterization, and use in solar cells, Journal of Materials Chemistry A 4, 15638‑15646 (2016). doi: 10.1039/c6ta05055g.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: 1,8-diaminooctane (98%), hydriodic acid (HI, 57% w/w in water and stabilized with 1.5% hypophosphorous acid), lead iodide (PbI2, 99.999%)

Product: block-like crystals

Description: 1 mol 1,8-diaminooctane (98%) was mixed with 2 mol equivalents of HI and was stirred for 2 hours in an ice bath. The resulting salt was recovered by evaporation of the solvent and washing with diethyl ether . PbI2 (2 mol equivalents) was dissolved in 4 mL HI. Diammonium iodide salt (1 mol equivalent) was dissolved in 3 mL HI. The two solutions were mixed and stirred at 90 degrees C for 1 hour and half of the solvent was evaporated. The stirring was stopped and the temperature was gradually decreased (5 degrees C/hour) to −10 °C.

Method: Single crystal X-ray crystallography

Description: Data were collected using a Bruker APEXII diffractometer (MoKα radiation), equipped with a CCD detector.

M. Safdari, P. H. Svensson, M. T. Hoang, I. Oh , L. Kloo, and J. M. Gardner, Layered 2D alkyldiammonium lead iodide perovskites: synthesis, characterization, and use in solar cells, Journal of Materials Chemistry A 4, 15638‑15646 (2016). doi: 10.1039/c6ta05055g.

Entry added on: Sept. 17, 2019, 2:07 p.m.
Entry added by: Sampreeti Bhattacharya UNC Chapel Hill
Last updated on: June 22, 2022, 8:24 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 680 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)
M. Safdari, P. H. Svensson, M. T. Hoang, I. Oh , L. Kloo, and J. M. Gardner, Layered 2D alkyldiammonium lead iodide perovskites: synthesis, characterization, and use in solar cells, Journal of Materials Chemistry A 4, 15638‑15646 (2016). doi: 10.1039/c6ta05055g.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: 1,8-diaminooctane (98%), hydriodic acid (HI, 57% w/w in water and stabilized with 1.5% hypophosphorous acid), lead iodide (PbI2, 99.999%), TiO2

Product: yellow film

Description: 1 mol 1,8-diaminooctane (98%) was mixed with 2 mol equivalents of HI and was stirred for 2 hours in an ice bath. The resulting salt was recovered by evaporation of the solvent and washing with diethyl ether . PbI2 (2 mol equivalents) was dissolved in 4 mL HI. Diammonium iodide salt (1 mol equivalent) was dissolved in 3 mL HI. The two solutions were mixed and stirred at 90 degrees C for 1 hour and half of the solvent was evaporated. The stirring was stopped and the temperature was gradually decreased (5 degrees C/hour) to −10 °C. 1:3.5 ratio of TiO2 Dyesol paste and ethanol (99.5%) produced a ∼250 nm mesoporous film on a microscopic slide. The film was sintered and was used as a substrate. DMF solution of the perovskite crystal was spin-coated and the film was heated at 90 °C for 10 min.

Method: UV-vis absorption

Description: Spectra were recorded using UV-visible Cary 300 spectrophotometer.

M. Safdari, P. H. Svensson, M. T. Hoang, I. Oh , L. Kloo, and J. M. Gardner, Layered 2D alkyldiammonium lead iodide perovskites: synthesis, characterization, and use in solar cells, Journal of Materials Chemistry A 4, 15638‑15646 (2016). doi: 10.1039/c6ta05055g.

Entry added on: Sept. 17, 2019, 2:12 p.m.
Entry added by: Sampreeti Bhattacharya UNC Chapel Hill
Last updated on: June 8, 2022, 4:26 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 681 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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