Bis(2-anthrylmethylammonium) lead chloride
Chemical Formula: C30H28N2PbCl4
IUPAC: bis(anthracen-1-ylmethanaminium) lead(II) chloride
Alternate Names: bis(anthracen-1-ylmethanaminium) tetrachloroplumbate(II), AMA2PbCl4, (C15H11NH3)2PbCl4, (C15H14N)2PbCl4Organic: C15H14N
Inorganic: PbCl4, Lead chloride
Dimensionality: 2D n: 1
Atomic structure Verified
See all entries for this property (2 total)
Origin: experimental (T = 293.0 K)
Space group: F m m 2
Crystal system: orthorhombic
| a: | 7.729 (±0.002) Å |
| b: | 50.44 (±0.01) Å |
| c: | 7.515 (±0.002) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
- temperature = 293.0 K
Sample type: single crystal
Starting materials: Lead chloride, 2-anthrylmethyl-amine, HCl, DMF
Product: Colorless crystals
Description: Prepare 2-anthrylmethyl-amine from the procedure outlined in [1] and [2]. Prepare the adjunct hydrochloride salt by adding a stoichiometric amount of 37% concentrated HCl. Slowly evaporate the solvent from a solution of lead chloride and 2-anthrylmethyl-ammonium chloride with the stoichiometric 1:2 in dimethylformamide.
Comment: References: [1] Ellis, G. P.; Romney-Alexander, T. M.: Cyanation of Aromatic Halides. Chem. Rev. 87 (1987) 779-794. [2] Dahn, Η.; Zoller, P.; Solms, U.: Über die Hydrogenolyse von α- und ß-Menaphtylamin-Derivaten. Helv. Chim. Acta 37 (1954) 565-574.
Method: X-ray diffraction
Description: Nicolet P3, Wyckoff with Mo Ka radiation (0.71073 Â). Programs used were SHELXS-86 and SHELXL-93.
Entry added on: April 15, 2019, 9:54 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: June 16, 2022, 6:37 a.m.
Last updated by: Jannik Eisenlohr Michigan State University
Data correctness verified by:
- Rayan C Duke University
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Band structure
See all entries for this property (2 total)
Origin: computational
Crystal system:
Sample type: single crystal
Code: FHI-aims
Level of theory: density functional theory
Exchange-correlation functional: HSE06 α = 0.25, ω = 0.11/bohr
K-point grid: 3x3x3
Level of relativity: atomic ZORA with spin-orbit coupling
Basis set definition: tight
Entry added on: May 8, 2019, 4:02 p.m.
Entry added by: Raul Laasner Duke University
Last updated on: Aug. 14, 2019, 9:55 p.m.
Last updated by: Xiaochen Du Duke University
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