P1802

Pentacene

99%

• Empirical Formula (Hill Notation): C₂₂H₁₄
• CAS Number: 135-48-8
• Molecular Weight: 278.35
• Beilstein/REAXYS Number: 1912418
• EC Number: 205-193-7
• MDL number: MFCD00003710
• UNSPSC Code: 12352103
• PubChem Substance ID: 24898247
• NACRES: NA.23

Properties

• assay: 99%
• form: powder
• mp: 372-374 °C (subl.)
• solubility: organic solvents: slightly soluble
• orbital energy: HOMO 5 eV ; LUMO 3 eV
• OPV device performance: ITO/pentacene/C60/BCP/Al;
  • Short-circuit current density (J_sc): 15 mA/cm²
  • Open-circuit voltage (V_oc): 0.36 V
  • Fill Factor (FF): 0.5
  • Power Conversion Efficiency (PCE): 2.7 %
• semiconductor properties: P-type (mobility=0.4-3 cm²/V·s) (on/off ratio=1E5-1E8)
• SMILES string: c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
• InChI: 1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H
• InChI key: SLIUAWYAILUBJU-UHFFFAOYSA-N

Description

General description

Pentacene belongs to the class of fused polycyclic hydrocarbons that are a part of the acene family with five rings. It is majorly utilized in electronic applications due to its high hole mobility of 1200 cm²V⁻¹s⁻¹ and fluorescent absorption peak at the wavelength of 578 nm.

Pentacene is a popular organic semi conductor. Upon deposition on any insulating substrate, the molecules organize to form polycrystalline films. The pentacene films show good transport properties. The hydrogen atoms which surround the carbon backbone are less electronegative than the carbon backbone itself and lend some electron density to the delocalized pi-electron cloud. It can also form large crystals.

Application

Pentacene can be functionalized by treating it with poly(4-vinyl phenol) (PVP), which can be used to reduce the surface energy of organic thin film transistors (OTFTs) and increase the hole mobility by 109%. It is mainly used in the fabrication of field effect transistors, which can be doped with iodine to increase the threshold voltage up to 140 V.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)