Bis(hexylammonium) lead iodide: absorption spectrum

Absorption spectrum Verified
Origin: experimental (T = 298.0 K)
Space group: P b c a
I. Spanopoulos, I. Hadar, W. Ke, Q. Tu, M. Chen, H. Tsai, Y. He, G. Shekhawat, V. P. Dravid, M. R. Wasielewski, A. D. Mohite, C. C. Stoumpos, and M. G. Kanatzidis, Uniaxial Expansion of the 2D Ruddlesden−Popper Perovskite Family for Improved Environmental Stability, Journal of the American Chemical Society 141, 5518‑5534 (2019). doi: 10.1021/jacs.9b01327.
System description
Dimensionality: 2D n: 1
Sample type: bulk polycrystalline

Starting materials: Lead(II) oxide (PbO, <10 μm, ReagentPlus®, ≥99.9% trace metals basis ), HI (57 wt. % in H2O), hexylamine 99%, H3PO2 (50 wt. % in H2O)

Product: orange plate-like crystals

Description: PbO powder (2232 mg, 10 mmol) was dissolved in 57% w/w aqueous HI solution (16 mL) in a 50 mL glass flask by heating to boiling under stirring. A bright yellow solution resulted. 1000 μL (7.52 mmol) of hexylamine in 50% aqueous H3PO2 (2 mL) was slowly added. The solution was slowly cooled to room temperature.

Comment: Note that the n=1 C6N1 compound is specifically mentioned as crystallizing in an orthorhombic spacegroup in the reference, with associated PXRD data shown in Figure S10. In contrast, the n>1 C6N1 compounds crystallize in a monoclinic spacegroup.

Method: UV-vis absorption (diffused reflectance)

Description: Optical diffuse-reflectance measurements were conducted at room temperature. A Shimadzu UV-2600 PC double-beam, double-monochromator spectrophotometer was operating from 200 to 2500 nm. BaS4 was used as a non-absorbing reflectance reference. Reflectance v. wavelength data was collected and used to estimate the band gap by converting reflectance to absorbance via the Kubelka-Munk equation: α/S = (1-R)^{2}/2R.

I. Spanopoulos, I. Hadar, W. Ke, Q. Tu, M. Chen, H. Tsai, Y. He, G. Shekhawat, V. P. Dravid, M. R. Wasielewski, A. D. Mohite, C. C. Stoumpos, and M. G. Kanatzidis, Uniaxial Expansion of the 2D Ruddlesden−Popper Perovskite Family for Improved Environmental Stability, Journal of the American Chemical Society 141, 5518‑5534 (2019). doi: 10.1021/jacs.9b01327.

Extraction method: Engauge Digitizer
Entry added on: July 17, 2020, 6:53 a.m.
Entry added by: Rebecca Lau Duke University
Last updated on: Aug. 24, 2023, 3:46 p.m.
Last updated by: Volker Blum Duke University
Data correctness verified by:
  • Volker Blum Duke University

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Data set ID: 1417 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!

Absorption spectrum Verified
Origin: experimental
E. P. Booker, T. H. Thomas, C. Quarti, M. R. Stanton, C. D. Dashwood, A. J. Gillett, J. M. Richter, A. J. Pearson, N. J. L. K. Davis, H. Sirringhaus, M. B. Price, N. C. Greenham, D. Beljonne, S. E. Dutton, and F. Deschler, Formation of Long-Lived Color Centers for Broadband Visible Light Emission in Low-Dimensional Layered Perovskites, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139, 18632‑18639 (2017). doi: 10.1021/jacs.7b10223.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: C6H16N, HI, PbI2, EtO2

Product: Thin film of (C12H25NH3)2PbI4

Description: Prepare hexylammonium iodide salts via neutralization of HI with HA. Remove unreacted species by evaporation. Purify product by recrystallization in minimal diethyl ether/excess hexane and isolate via vacuum filtration. Prepare films by spin-coating or drop-casting solutions (prepared by dissolving HAI and PbI2 powders at a 2.5:1 molar ratio in a 1:0.34 volume ratio mixture of THF and methanol). Spin-coat films from solutions of 20 mg/mL at 2000 rpm for 30 s and anneal for 15 min at 70 °C.

Method: UV-Vis absorption

Description: Steady-state room-temperature absorption spectra were determined by placing spin-coated films on glass in a using an HP 8453 spectrometer.

E. P. Booker, T. H. Thomas, C. Quarti, M. R. Stanton, C. D. Dashwood, A. J. Gillett, J. M. Richter, A. J. Pearson, N. J. L. K. Davis, H. Sirringhaus, M. B. Price, N. C. Greenham, D. Beljonne, S. E. Dutton, and F. Deschler, Formation of Long-Lived Color Centers for Broadband Visible Light Emission in Low-Dimensional Layered Perovskites, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139, 18632‑18639 (2017). doi: 10.1021/jacs.7b10223.

Extraction method: manually
Entry added on: July 29, 2022, 5:21 a.m.
Entry added by: Elisa Wade Albert-Ludwigs-Universität Freiburg
Last updated on: July 29, 2022, 5:21 a.m.
Last updated by: Elisa Wade Albert-Ludwigs-Universität Freiburg
Data correctness verified by:
  • Volker Blum Duke University

Download data
Data set ID: 2032 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!


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