CAS Number 2244414-53-5
6TIC (CAS number 2244414-53-5), also known as IXIC, has an acceptor–donor–acceptor (A–D–A) structure consisting of an electron-rich fused terthieno[3,2-b]thiophene core and two electron withdrawing 1,1-dicyanomethylene-3-indanone (IC) peripheral units.
With two outward thieno[3,2-b]thiophene units, 6TIC has enhanced planarity while comparing with 4TIC (IHIC), leading to more efficient molecular packing and charge transport. 6TIC thin film shows an intense and broadened absorption between 600 and 900 nm with an onset at ~905 nm.
Furthermore, 6TIC shows superior electron mobility than that of 4TIC for its longer effective conjugation length and stronger inter charge transfer (ICT) than 4TIC. 6TIC also has a higher lying HOMO energy level and a slightly smaller bandgap.
Ternary polymer solar cell fabricated by using PBTA-PS as donor, and LA1 and 6TIC as binary acceptors achieved a PCE of 14.24% due to a well-matched complementary absorption profiles and co-crystallization properties.
Device structure: ITO/PEDTO:PSS/PBTA-PS:LA1:6TIC/PDINO/Al[5]
| Thickness (nm) | VOC(V) | JSC(mA cm-2) | FF (%) | PCE(%) |
| 100 nm | 0.84 | 22.33 | 75.94 | 14.24 |
Chemical structure of 6TIC (IXIC), CAS number: 2244414-53-5.
| CAS Number | 2244414-53-5 |
| Chemical Formula | C94H80N4O2S6 |
| Purity | ≥98% (1HNMR) |
| Full Name | 2,2'- [[6,6,12,12-tetrakis(4-hexylphenyl)-6,12-dihydro-Thieno[2'',3'':4',5']thieno[3',2':4,5]cyclopenta[1,2-b]thieno[2''',3''':4'',5'']thieno[2'',3'':3',4']cyclopenta[1',2':4,5]thieno[2,3-d]thiophene-2,7-diyl]bis[methylidyne(3-oxo1H-indene-2,1(3H)-diylidene) ]]bis-propanedinitrile |
| Molecular Weight | 1490.06 g/mol |
| Absorption | λmax 718 nm, 795 nm (Film) |
| HOMO / LUMO | HOMO = -5.45 eV, LUMO = -3.94 eV [1] |
| Solubility | Chloroform, chlorobezene |
| Form | Dark blue powder/crystals |
| Synonyms | IXIC |
| Classification / Family | NFAs, n-type non-fullerene electron acceptors, Organic semiconducting materials, Low band-gap small molecule, Small molecular acceptor, Organic photovoltaics, Polymer solar cells, NF-PSCs. |
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