Bis(phenethylammonium) tin bromide

Chemical Formula: (C6H5CH2CH2NH3)2SnBr4
IUPAC: bis(phenethylaminium) tin bromide
Alternate Names: (PEA)2SnBr4, bis(phenethylaminium) tetrabromostannate(II)
Organic: C6H5CH2CH2NH3
Inorganic: SnBr4, Tin bromide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 16 , H : 24 , N : 2 , Sn : 1 , Br : 4
Atomic structure Verified
Origin: experimental (T = 293.0 (±2.0) K)
Space group: P-1
Lattice parameters

Crystal system: triclinic

a:11.5583 (±0.0006) Å
b:11.6234 (±0.0005) Å
c:17.3131 (±0.0007) Å
α:80.299 (±0.004)°
β:74.26 (±0.004)°
γ:89.849 (±0.004)°
Fixed parameters:
  • temperature = 293.0 (±2.0) K
L. Xu, H. Lin, S. Lee, C. Zhou, M. Worku, M. Chaaban, Q. He, A. Plaviak, X. Lin, B. Chen, M. Du, and B. Ma, 0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids, Chemistry of Materials 32, 4692‑4698 (2020). doi: 10.1021/acs.chemmater.0c01254.s001.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: SnBr2, C6H5CH2CH2NH3Br, HBr, H3PO2

Product: yellow flake single crystals

Description: Growing the single crystal through the slow cooling process from 100 °C to room temperature. 2.0 mmol of SnBr2 and 4.0 mmol of PEABr are dissolved in a mixture of HBr (3 mL) and H3PO2 (1 mL) after magnetic stirring and nitrogen flow for ∼5 min at 100 °C. The solution is slowly cooled from 100 °C to room temperature. The obtained yellow flake single crystals are washed using acetone and ethyl ether and then dried under reduced pressure.

Method: single-crystal X-ray diffraction

Description: A Rigaku XtaLAB Synergy-S diffractometer using a HyPix-6000HE Hybrid Photon Counting (HPC) detector and a dual Mo and Cu microfocus sealed X-ray source as well as a low-temperature Oxford Cryosystem 800 is utilized to collect single-crystal X-ray data.

L. Xu, H. Lin, S. Lee, C. Zhou, M. Worku, M. Chaaban, Q. He, A. Plaviak, X. Lin, B. Chen, M. Du, and B. Ma, 0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids, Chemistry of Materials 32, 4692‑4698 (2020). doi: 10.1021/acs.chemmater.0c01254.s001.

Extraction method: from a publication
Entry added on: Sept. 15, 2020, 4:54 p.m.
Entry added by: Yi Xie Duke University
Last updated on: Aug. 24, 2022, 8:25 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1673 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


Band gap (fundamental)
Method: Electroabsorption
Origin: experimental (T = 15.0 K)
Band gap (fundamental)

Crystal system: unknown

Band gap (fundamental), eV
Fixed parameters:
  • temperature = 15.0 K
K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: PEABr salt, SnBr2 salt, stoichiometric ratio 2:1

Product: spin-coated thin film

Description: Starting materials dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 min at room temperature. Substrate: Quartz substrate with 120 nm gold layer with inerdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and spin-coated, 4000 rpm / 30 seconds, targeting film thicknesses 80-300 nm.

Method: Electroabsorption

Description: Films were spin-coated onto interdigitated Au electrode array - 45 micron distance between opposing fingers. Samples mounted in cryostat with Cu wires soldered to opposing electrode stripes. Xe lamp light spectrally filtered, focused on sample and subsequently on UV-enhanced Si photodiode detector. Sample transmission, substrate transmission, and sample electrotransmission were collected in independent scans. Absorbance and electroabsorbance were then calculated from the respective transmissions. The fundamental gap is determined by the crossover point of absorption curves measured under different electric fields in the fundamental band gap region.

Comment: Significantly more detail in paper.

K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.

Extraction method: Manual from article (Table S1)
Entry added on: June 8, 2023, 10:39 p.m.
Entry added by: Kelly Ma
Last updated on: June 8, 2023, 10:40 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2325 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!

Exciton binding energy
Method: Electroabsorption
Origin: experimental (T = 15.0 K)
Exciton binding energy

Crystal system: unknown

Exciton binding energy, eV
Fixed parameters:
  • temperature = 15.0 K
K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: PEABr salt, SnBr2 salt, stoichiometric ratio 2:1

Product: spin-coated thin film

Description: Starting materials dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 min at room temperature. Substrate: Quartz substrate with 120 nm gold layer with inerdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and spin-coated, 4000 rpm / 30 seconds, targeting film thicknesses 80-300 nm.

Method: Electroabsorption

Description: Films were spin-coated onto interdigitated Au electrode array - 45 micron distance between opposing fingers. Samples mounted in cryostat with Cu wires soldered to opposing electrode stripes. Xe lamp light spectrally filtered, focused on sample and subsequently on UV-enhanced Si photodiode detector. Sample transmission, substrate transmission, and sample electrotransmission were collected in independent scans.Absorbance and electroabsorbance were then calculated from the respective transmissions. The exciton binding energy arises as the difference of the 1s exciton peak energy observed in conventional absorption and the fundamental gap as determined by the crossover point of absorption curves measured under different electric fields in the fundamental band gap region.

Comment: Significantly more detail in paper.

K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.

Extraction method: Manual from article (Table S1)
Entry added on: June 8, 2023, 10:43 p.m.
Entry added by: Kelly Ma
Last updated on: June 8, 2023, 10:43 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2326 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!

Exciton energy
Method: Electroabsorption
Origin: experimental (T = 15.0 K)
Exciton energy

Crystal system: unknown

Exciton energy, eV
Fixed parameters:
  • temperature = 15.0 K
K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.
System description
Dimensionality: 2D n: 1
Sample type: film

Starting materials: PEABr salt, SnBr2 salt, stoichiometric ratio 2:1

Product: spin-coated thin film

Description: Starting materials dissolved in 4:1 DMF:DMSO solvent mixture, stirred for 30 min at room temperature. Substrate: Quartz substrate with 120 nm gold layer with inerdigitated fingers. Precursor solution (0.1-0.3 molar) pipetted onto substrate and spin-coated, 4000 rpm / 30 seconds, targeting film thicknesses 80-300 nm.

Method: Electroabsorption

Description: Films were spin-coated onto interdigitated Au electrode array - 45 micron distance between opposing fingers. Samples mounted in cryostat with Cu wires soldered to opposing electrode stripes. Xe lamp light spectrally filtered, focused on sample and subsequently on UV-enhanced Si photodiode detector. Sample transmission, substrate transmission, and sample electrotransmission were collected in independent scans. Absorbance and electroabsorbance were then calculated from the respective transmissions.

Comment: Significantly more detail in paper.

K. Hansen, C. Wong, C. E. McClure, B. Romrell, L. Flannery, D. Powell, K. Garden, A. Berzansky, M. Eggleston, D. King, C. Shirley, M. Beard, W. Nie, A. Schleife, J. Colton, and L. Whittaker-Brooks, Uncovering Unique Screening Effects in 2D Perovskites: Implications for Exciton and Band Gap Engineering, ResearchSquare Preprint, 1‑22 (2023). doi: https://doi.org/10.21203/rs.3.rs-2667143/v1.

Extraction method: Manual from article (Table S1)
Entry added on: June 8, 2023, 10:45 p.m.
Entry added by: Kelly Ma
Last updated on: June 8, 2023, 10:45 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2327 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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