Hexaflourobenzene bis(phenethylammonium) tin iodide

Chemical Formula: C16H24N2SnI4:C6F6
IUPAC: hexafluorobenzene bis(phenylethanaminium) tin iodide
Alternate Names: (PEA)2SnI4:HFB, (C6H5CH2CH2NH3)2(SnI4):HFB, hexafluorobenzene intercalated bis(phenylethanaminium) tetraiodostannate(II)
Organic: C8H12N, C6F6
Inorganic: SnI4, Tin iodide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 22 , H : 24 , N : 2 , Sn : 1 , I : 4 , F : 6
Atomic structure Verified
Origin: experimental (T = 199.0 (±2.0) K)
Space group: C2/c
Lattice parameters

Crystal system: monoclinic

a:40.685 (±0.004) Å
b:6.0804 (±0.0006) Å
c:12.1633 (±0.0012) Å
α:90°
β:93.136°
γ:90°
Fixed parameters:
  • temperature = 199.0 (±2.0) K
D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: Methanol, hexafluorobenzene, (PEA)2SnI4

Product: Red plate-like crystals

Description: Crystals of (PEA)2SnI4 intercalated with hexafluorobenzene were prepared by mixing the base layered perovskite with methanol. Then an excess of hexafluorobenzene was added to the solution and the solution was stirred until it became homogenous and yellow. Then it sat in an inert atmosphere for a few days and red, plate-like crystals of the system formed.

Method: Single-crystal X-ray diffraction

Description: Data was collected with the Bruker SMART CCD diffractometer using 2.4 kW tube X-ray source (Mo Kα radiation).

D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.

Extraction method: Manually extracted from a publication
Entry added on: July 21, 2020, 2:30 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 9, 2022, 2:33 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1453 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

See all entries for this property (2 total)

Origin: experimental (T = 298.0 K)
D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.
System description
Dimensionality: 2D n: 1
Sample type: film
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: Methanol, hexafluorobenzene, (PEA)2SnI4

Product: Thin film on quartz substrate

Description: Films of the intercalated layered perovskites were prepared by immersing the uninteracalated films in a benzene or hexafluorobenzene solution at room temperature for an hour. The films were encapsulated by thin polycarbonate sheet while still wet from their immersion. The encapsulation effectively laminates the hybrid film and provided a partial diffusion barrier for the intercalated species. XRD and optical measurements can be made through the polycarbonate sheet cover.

Method: UV-vis Absorption

Description: Absorption spectra were measured with a Hewlett-Packard UV-vis 8543 spectrophotometer at room temperature on the quartz thin-film samples.

D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.

Extraction method: Engauge digitizer
Entry added on: July 21, 2020, 2:34 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 9, 2022, 2:39 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1454 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 peak position Verified
Origin: experimental (T = 298.0 K)
Absorption peak position

Crystal system: monoclinic

Absorption peak position, nm
Fixed parameters:
  • temperature = 298.0 K
D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.
System description
Dimensionality: 2D n: 1
Sample type: film
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: Methanol, hexafluorobenzene, (PEA)2SnI4

Product: Thin film on quartz substrate

Description: Films of the intercalated layered perovskites were prepared by immersing the uninteracalated films in a benzene or hexafluorobenzene solution at room temperature for an hour. The films were encapsulated by thin polycarbonate sheet while still wet from their immersion. The encapsulation effectively laminates the hybrid film and provided a partial diffusion barrier for the intercalated species. XRD and optical measurements can be made through the polycarbonate sheet cover.

Method: UV-vis Absorption

Description: Absorption spectra were measured with a Hewlett-Packard UV-vis 8543 spectrophotometer at room temperature on the quartz thin-film samples.

Comment: Exciton peak is noted here. (2.08 eV)

D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.

Extraction method: Manually extracted from a publication
Entry added on: July 21, 2020, 2:35 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 9, 2022, 2:42 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1455 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!

Thermogravimetric behavior Verified
Origin: experimental
D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: Methanol, hexafluorobenzene, (PEA)2SnI4

Product: Red plate-like crystals

Description: Crystals of (PEA)2SnI4 intercalated with hexafluorobenzene were prepared by mixing the base layered perovskite with methanol. Then an excess of hexafluorobenzene was added to the solution and the solution was stirred until it became homogenous and yellow. Then it sat in an inert atmosphere for a few days and red, plate-like crystals of the system formed.

Method: Thermogravimetric Analysis (TGA)

Description: TGA was performed with a TA Instruments TGA-2950 on the crystals that were isothermally purged in a nitrogen atmosphere at ambient temperature for 20 minutes. The temperature was then increased at a constant rate of 5 degress Celsius per minute up to 600 degrees.

D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.

Extraction method: Engauge digitizer
Entry added on: July 21, 2020, 2:38 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 9, 2022, 2:45 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1456 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!

Thermal transition behavior Verified
Differential scanning calorimetry (DSC)
Origin: experimental
D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: Methanol, hexafluorobenzene, (PEA)2SnI4

Product: Red plate-like crystals

Description: Crystals of (PEA)2SnI4 intercalated with hexafluorobenzene were prepared by mixing the base layered perovskite with methanol. Then an excess of hexafluorobenzene was added to the solution and the solution was stirred until it became homogenous and yellow. Then it sat in an inert atmosphere for a few days and red, plate-like crystals of the system formed.

Method: Differential Scanning Calorimetry (DSC)

Description: DSC was performed with a TA Instruments MDSC-2920. A heating rate of 5 degrees per minute weas used and the temperature scale was calibrated using the indium melting transition. This is power-compensated DSC where the heating rate and power supply is constant.

D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.

Extraction method: Engauge digitizer
Entry added on: July 21, 2020, 2:45 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 9, 2022, 2:50 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1457 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
Origin: experimental
T. Sheikh, V. Nawale, N. Pathooor, C. Phadnis, A. Chowdhury, and A. Nag, Molecular Intercalation and Electronic Two Dimensionality in Layered Hybrid Perovskites, Angewandte Chemie International Edition 59, 11653‑11659 (2020). doi: https://doi.org/10.1002/anie.202003509.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: Tin(II) oxide (Sigma Aldrich, 97%), hydriodic acid (Sigma Aldrich, 57% w/w in H2O, 99.9%), hypophosphorous acid (Avra, 50% w/w H2O), phenylethylamine (Sigma Aldrich, 99.9%), hexafluorobenzene (HFB, Sigma Aldrich, 99%)

Product: (PEA)2SnI4 : HFB crystals

Description: Single crystals of (PEA)2SNI4 were synthesized by adding tin (II) oxide (0.6 mmol), hydriodic acid ( 5 mL), and hypophosphorous acid (3 mL) into a sealed vial and heated at 90 ˚C under constant stirring. After tin (II) oxide dissolved in the solution and yielded a dark yellow color, phenethylamine (1.2 mmol) was injected into the sealed vial by a syringe. A brown sheet of crystals of (PEA)2SNI4 produced after the solution was cooled to room temperature. The crystals were then obtained via filtration. 50 mg of these crystals was dissolved in a mixture of 2 mL methanol and 2 mL HFB. The obtained dark yellow solution was kept open in a glove box. As the solvent evaporates (PEA)2SnI4:HFB crystals precipitate out. The crystals were filtered, dried and stored in a glove box for further use.

Method: Photoluminescence

Description: Recorded on FLS 980 (Edinburgh Instruments).

T. Sheikh, V. Nawale, N. Pathooor, C. Phadnis, A. Chowdhury, and A. Nag, Molecular Intercalation and Electronic Two Dimensionality in Layered Hybrid Perovskites, Angewandte Chemie International Edition 59, 11653‑11659 (2020). doi: https://doi.org/10.1002/anie.202003509.

Extraction method: Engauge Digitizer
Entry added on: April 18, 2022, 4:53 p.m.
Entry added by: Rayan C Duke University
Last updated on: April 18, 2022, 4:53 p.m.
Last updated by: Rayan C Duke University

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Data set ID: 1970 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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