1391764-83-2

Basic information

• Product Name: 4,5‐ b']difuran
• Synonyms: (4,8‐Bis‐(2‐ethylhexyloxy)‐ 2,6‐bistriMethylstannanylbenzo[ 1,2‐b;4,5‐ b']difuran;2,6‐bis(triMethyltin)‐ 4,8‐bis‐[5‐(2‐ethylhexyl)‐ thiophen‐2‐ yl]benzo[1,2‐b
• CAS NO: 1391764-83-2
• Molecular Formula: C40H58O2S2Sn2
• Molecular Weight: 872.44
• Mol File: 1391764-83-2.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4,5‐ b']difuran(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5‐ b']difuran(1391764-83-2)
• EPA Substance Registry System: 4,5‐ b']difuran(1391764-83-2)

Safety Data

• Hazardous Substances Data: 1391764-83-2(Hazardous Substances Data)

Usage

General Description

4,5‐b′]difuran is a chemical compound with the molecular formula C10H6O2. It belongs to the class of organic compounds known as furans, which are heterocyclic compounds containing a five-membered ring with four carbon atoms and one oxygen atom. 4,5‐b′]difuran is a yellow solid that is insoluble in water but soluble in organic solvents. It is used in the production of various organic compounds and materials, and its unique structure and properties make it valuable in the field of organic chemistry and material science. However, due to its relatively high reactivity, it should be handled with caution and in accordance with proper safety measures.

Upstream product

• 4891-44-5 2-(2-ethylhexyl)thiophen 
• 267220-47-3 4,8-dehydrobenzo[l,2-b:4,5-b′]difuran-4,8-dione 
• 1391764-82-1 4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b;4,5-b′]difuran 
• 1066-45-1 trimethyltin(IV)chloride 

Relevant articles and documents

Conjugated and nonconjugated substitution effect on photovoltaic properties of benzodifuran-based photovoltaic polymers

In order to investigate the influence of two-dimensional (2D) conjugated structure on photovoltaic properties of benzo[1,2-b:4,5-b']difuran (BDF)-based polymers, two low band gap photovoltaic polymers, named PBDFTT-CF-O and PBDFTT-CF-T, were designed and synthesized. These two polymers have the same backbones and different side groups. Although these two polymers show similar optical band gaps (ca. 1.5 eV), the polymer with alkylthienyl side groups, PBDFTT-CF-T, exhibits stronger absorption in long wavelength direction than the polymer with alkoxyl side groups, PBDFTT-CF-O. Meanwhile, PBDFTT-CF-T exhibits a HOMO level of -5.21 eV, which is 0.23 eV lower than that of PBDFTT-CF-O due to weaker electron-donating ability of alkylthienyl side groups than that of aloxyl side groups. The hole mobility of the blend of PBDFTT-CF-T/PC71BM (1:1.5, w/w) is 0.128 cm2 V-1 s-1, which is 1 order of magnitude higher than that of the blend of PBDFTT-CF-O/PC 71BM. Density functional theory (DFT) model shows thiophene pendants on dithienyl-BDF are more coplanar than it on dithienyl-BDT. These results indicate that the 2D-conjugated structure is helpful for molecular structure design of the BDF-based polymers in enhancing the intermolecular π-π stacking and improving charge transport property. Furthermore, the photovoltaic devices based on these two polymers show similar short circuit density and fill factor values, while the open circuit voltage of the PBDFTT-CF-T-based device is 0.78 V, which is 0.15 V higher than that of the PBDFTT-CF-O-based device. Therefore, the efficiencies of the devices based PBDFTT-CF-T/PC71BM and PBDFTT-CF-O/PC71BM are 6.26% and 5.22%, respectively. The results in this work demonstrate that the weak electron-donating ability of alkylthienyl side groups can be seen as an effective strategy to improve photovoltaic properties of the BDF-based polymers and the 2D-conjugated molecular structure is favorable to improve hole mobility.

Two-dimensional conjugated benzodifuran organic micro-molecular photovoltaic material, and preparation method and application thereof

The invention discloses a two-dimensional conjugated BDF organic micro-molecular photovoltaic material, and a preparation method and an application thereof. Two-dimensional conjugated BDF organic micro-molecules with the structure represented by formula (I) are obtained by connecting a thiophene conjugate side chain-containing benzo[1,2-b;3,4-b]difuran (BDF) unit with another aryl heterocycle through a Stille coupling technology. The organic micro-molecular photovoltaic material has wide visible region absorption, suitable HOMO and LUMO energy levels and narrow band gap. Organic solar cells are produced by using the organic molecules as an electron donor and PC61BM as an electron receptor, the maximum energy conversion efficiency of the organic solar cells reaches up to 3.7%, and the organic solar cells have a good photoelectric conversion efficiency.