See all entries for this property (31 total)
Crystal system: monoclinic
| a: | 12.3353 Å |
| b: | 12.2206 Å |
| c: | 32.2371 Å |
| α: | 90° |
| β: | 94.296° |
| γ: | 90° |
Starting materials: Lead(II) iodide, 2-phenethylamine (PEA), HI, diethyl ether
Product: orange needle-like crystals
Description: a round bottom flask containing ethanol and PEA was cooled to 0 degree C. To it, a stoichiometric amount of concentrated hydroiodic acid was added. After stirring the solution for 1 hour, all volatiles were removed using a rotary evaporator. The remaining solid is PEAI salt. It was washed with diethyl ether and dried under vacuum at 50°C overnight. Stoichiometric amounts of PbI2 and PEAI were added to concentrated stabilized aqueous HI (concentrations of around 0.25-0.30M of Pb2+). The solution was heated and stirred at 140ºC for an hour, and the clear solutions cooled slowly to room temperature.
Method: Single Crystal X-ray Diffraction
Description: Data was collected with a BrukerX8 CCD area detector diffractometer, with Mo Kα radiation (0.71073Å) at 100 K. SAINT and SADABS packages were used for data reduction and absorption corrections, respectively.
See all entries for this property (31 total)
Crystal system: monoclinic
| a: | 12.3353 Å |
| b: | 12.2206 Å |
| c: | 32.2371 Å |
| α: | 90° |
| β: | 94.296° |
| γ: | 90° |
Code: FHI-aims
Level of theory: Density Functional Theory (DFT)
Exchange-correlation functional: PBE-TS
K-point grid: 4X4X2
Level of relativity: atomic ZORA
Basis set definition: intermediate