Y6-BO-4F
[CAS# 2389125-23-7]

Identification

• Classification: Organic raw materials >> Nitrile compound
• Name: Y6-BO-4F
• Synonyms: 2-[(2Z)-2-[[23-[(Z)-[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,27-di(undecan-5-yl)-8,22-di(undecyl)-6,10,15,20,24-pentathia-3,14,16,27-tetrazaoctacyclo[16.9.0.02,12.04,11.05,9.013,17.019,26.021,25]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaen-7-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile
• Molecular Formula: C₈₈H₉₈F₄N₈O₂S₅
• Molecular Weight: 1536.09
• CAS Registry Number: 2389125-23-7
• SMILES: CCCCCCCCCCCC1=C(SC2=C1SC3=C2N(C4=C3C5=NSN=C5C6=C4N(C7=C6SC8=C7SC(=C8CCCCCCCCCCC)/C=C/9\C(=O)C1=CC(=C(C=C1C9=C(C#N)C#N)F)F)C(CCCCCC)CCCC)C(CCCCCC)CCCC)/C=C/1\C(=O)C2=CC(=C(C=C2C1=C(C#N)C#N)F)F

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.653, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Discovory and Applicatios

Y6-BO-4F is a prominent non-fullerene acceptor (NFA) material that has been developed for use in organic photovoltaics (OPVs). The substance is part of a broader effort to enhance the efficiency and stability of organic solar cells, which are increasingly seen as a cost-effective and sustainable alternative to conventional inorganic photovoltaic technologies. The discovery of Y6-BO-4F marks an important step in the development of high-performance organic solar cells, primarily due to its superior electronic properties and compatibility with high-efficiency donor materials.

The structure of Y6-BO-4F features a unique design that includes an electron-deficient core composed of a benzothiadiazole (BT) unit, flanked by bulky side groups to improve solubility and processing properties. This structure is further functionalized with a fluorinated group to enhance its electron-withdrawing capabilities. The fluorine atoms not only improve the electron affinity of Y6-BO-4F but also help optimize its energy levels for effective charge transport and separation when used in a bulk heterojunction (BHJ) architecture.

Y6-BO-4F was introduced as part of the development of more efficient non-fullerene acceptors that can replace traditional fullerene derivatives in organic solar cells. Fullerene-based acceptors, while widely used, often suffer from issues such as poor absorption in the visible spectrum and limited charge mobility. Non-fullerene acceptors like Y6-BO-4F address these limitations by offering better light absorption, enhanced charge transport, and improved stability under real-world operating conditions. These improvements are particularly important for the commercialization of OPVs, which must be cost-effective, efficient, and durable over long periods of use.

In recent studies, Y6-BO-4F has demonstrated outstanding performance in combination with various donor polymers, especially those that are optimized for low energy losses and high open-circuit voltages. Its ability to form stable blends with donors such as PTB7-Th and PM6 has led to power conversion efficiencies (PCEs) exceeding 18%, which is considered highly competitive for organic solar cells. Additionally, the high stability of Y6-BO-4F-based devices under both light and heat exposure makes it a promising material for large-scale and commercial applications in the photovoltaic industry.

The success of Y6-BO-4F in organic solar cells can be attributed to its molecular design, which not only enhances light absorption and charge transport but also enables favorable morphology in the active layer. The material’s solubility in common organic solvents and its ability to form thin films via solution-based processing techniques such as spin-coating further contribute to its utility in scalable device fabrication.

Beyond its use in organic photovoltaics, Y6-BO-4F also holds potential for other optoelectronic applications, such as organic light-emitting diodes (OLEDs) and organic field-effect transistors (OFETs), due to its excellent charge transport properties and stability. The ongoing development of Y6-BO-4F and similar NFAs is expected to drive the next generation of organic electronic devices, providing more sustainable and flexible alternatives to traditional silicon-based technologies.

In conclusion, Y6-BO-4F represents a significant advancement in the field of organic photovoltaics. Its high performance, stability, and ease of processing make it a key material in the ongoing quest to improve the efficiency and scalability of organic solar cells. As research continues, the potential for Y6-BO-4F and similar non-fullerene acceptors to contribute to renewable energy solutions and flexible electronics grows, positioning them as critical components of future energy technologies.