Materials, Organic Conductors, Semiconducting Molecules, Small Molecule OPV Donors
BTR (CAS number 2041283-06-9) has a backbone consisting of a benzodithiophene (BDT) unit in conjugation with two terthiophenes and two rhodanine periphera end groups forming a coplanar structure. In combination with the additional hexyl group on the thienyl-BDT unit, the side chains provide BTR with strong intermolecular interactions showing nematic liquid crystal behaviour.
BTR shows an excellent solubility of 211 mg/ml in chloroform.
| Full name | 5,5'- [[4,8-bis[5-(2-ethylhexyl)-4-hexyl-2-thienyl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis[(3',3''-dihexyl[2,2':5',2''-terthiophene]-5'',5-diyl)methylidyne ]]bis[3-hexyl-2-thioxo-4-thiazolidinone] |
| Purity | 98% (1H NMR) |
| Synonyms |
BTR |
| Chemical formula | C114H152N2O2S14 |
| Molecular weight | 2031.41 g/mol |
| CAS number | 2041283-06-9 |
| HOMO / LUMO | HOMO = -5.34 eV LUMO = -3.52 eV [1] |
| Melting point (DSC) | TGA: 405 °C (0.5% weight loss), 175°C (Tg) |
| Solubility/processing solvents | Chloroform, chlorobenzene |
| Classification / Family | Benzodithiophene (BDT) derivatives, Heterocyclic five-membered ring, Organic semiconducting materials, Organic Photovoltaics, Small molecule donor, SM-OPVs |
Chemical structure of BTR, CAS 2041283-06-9
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