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772372

Sigma-Aldrich

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
MDL number:
MFCD27952541
UNSPSC Code:
12352103
PubChem Substance ID:
329767559
NACRES:
NA.23

form

solid

Quality Level

100

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP7070
MKBR8017V
MKBL8704

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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)
Plastic solar cells: Self-assembly of bulk heterojunction nano-materials by spontaneous phase separation
AIP Conference Proceedings, 1519(1), 47-50 (2013)
Solution-processed small-molecule solar cells with 6.7% efficiency
Nature Materials, 11, 44-48 (2012)
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)
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