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Merck
CN

772372

DTS(PTTh2)2

Synonym(s):

4,4′-[4,4-Bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b′]dithiophene-2,6-diyl]bis[7-(5′-hexyl-[2,2′-bithiophen]-5-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine], 5,5′-Bis{[4-(7-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine}-3,3′-di-2-ethylhexylsilylene-2,2′-bithiophene

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About This Item

Empirical Formula (Hill Notation):
C62H72N6S8Si
Molecular Weight:
1185.88
NACRES:
NA.23
PubChem Substance ID:
UNSPSC Code:
12352103
MDL number:
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form

solid

Quality Level

mp

208-213 °C

solubility

chloroform: soluble(lit.), dichlorobenzene: soluble(lit.)

λmax

655 nm in chloroform

SMILES string

CCC(CCCC)C[Si]1(CC(CCCC)CC)C2=C(SC(C3=NC=C(C4=CC=C(C5=CC=C(CCCCCC)S5)S4)C6=NSN=C63)=C2)C7=C1C=C(C8=NC=C(C9=CC=C(C%10=CC=C(CCCCCC)S%10)S9)C%11=NSN=C%118)S7

InChI

1S/C62H72N6S8Si/c1-7-13-17-19-23-41-25-27-47(69-41)49-31-29-45(71-49)43-35-63-57(59-55(43)65-75-67-59)51-33-53-61(73-51)62-54(77(53,37-39(11-5)21-15-9-3)38-40(12-6)22-16-10-4)34-52(74-62)58-60-56(66-76-68-60)44(36-64-58)46-30-32-50(72-46)48-28-26-42(70-48)24-20-18-14-8-2/h25-36,39-40H,7-24,37-38H2,1-6H3

InChI key

NOJURONZIGXBEP-UHFFFAOYSA-N

General description

DTS(PTTh2)2 is a conjugating polymer with an absorption onset of 815 nm and a field effect hole mobility of ~ 0.1 cm2V-1s-1. It acts as a small donor molecule that can be used as an active layer in optoelectronic applications.

Application

Narrow band gap material for high-efficiency organic solar cells (OPVs) application
OPV Device Structure: ITO/MoOx/DTS(PTTh2)2: PC70BM/Al
  • JSC = 14.4 mA/cm2
  • VOC = 0.78 V
  • FF = 0.59
  • PCE = 6.7%


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Articles

Solution-processed organic photovoltaic devices (OPVs) have emerged as a promising clean energy generating technology due to their ease of fabrication, potential to enable low-cost manufacturing via printing or coating techniques, and ability to be incorporated onto light weight, flexible substrates.


Zachary B Henson et al.
Journal of the American Chemical Society, 134(8), 3766-3779 (2012-01-31)
π-Conjugated materials containing pyridal[2,1,3]thiadiazole (PT) units have recently achieved record power conversion efficiencies of 6.7% in solution-processed, molecular bulk-heterojunction (BHJ) organic photovoltaics. Recognizing the importance of this new class of molecular systems and with the aim of establishing a more
Balancing the H-and J-aggregation in DTS (PTTh 2) 2/PC 70 BM to yield a high photovoltaic efficiency
Zhao Q, et al.
Journal of Material Chemistry C, 3(31), 8183-8192 (2015)
Exciton delocalization incorporated drift-diffusion model for bulk-heterojunction organic solar cells
Wang ZS, et al.
Journal of Applied Physics, 120(21), 213101-213101 (2016)



Global Trade Item Number

SKUGTIN
772372-100MG04061832939179