363-72-4 | Pentafluorobenzene

CAS:363-72-4 | Pentafluorobenzene ,Description

Pentafluorobenzene (PFB) is a fluorinated aromatic hydrocarbon that is used in a variety of scientific and industrial applications. It is a colorless liquid with a strong odor, and it is highly volatile and flammable. PFB is a versatile molecule that can be used in a wide range of applications, from synthetic organic chemistry to materials science. 
 

Scientific Research Applications

Electronic Structure and Photophysics

The electronic structure of pentafluorobenzene (PFB) has been explored to understand its photophysical properties. Research indicates that increasing fluorine substitution, as seen in pentafluorobenzene, alters the nature of excited electronic states. This alteration leads to a phenomenon known as the perfluoro effect. Detailed quantum chemistry calculations revealed a sequence of low-energy conical intersections among the electronic potential energy surfaces of pentafluorobenzene, influencing its fluorescence emission and internal conversion mechanisms. This understanding is pivotal in photophysics and could have implications in fields where the optical properties of materials are crucial (Mondal & Mahapatra, 2010).

Applications in Solar Cells

Pentafluorobenzene-based additives have been developed to control the donor/acceptor (D/A) interfacial morphology in all-polymer solar cells. These additives, through quadrupolar electrostatic interactions, induce morphology changes, improving charge carrier extraction and charge transport between D/A interfaces. This leads to an enhancement in the photovoltaic performance of the solar cells, showcasing pentafluorobenzene's potential in renewable energy technologies (Hong‐I Kim et al., 2017).

Organic Synthesis and Catalysis

Pentafluorobenzene is utilized in various organic synthesis processes. It is involved in direct arylation reactions with aryl bromides and aryl chlorides under mild conditions, broadening the scope of constructing perfluoroarenes. Such chemical transformations highlight pentafluorobenzene's role in facilitating complex synthesis pathways, which is crucial in developing pharmaceuticals, agrochemicals, and materials science (Lafrance, Shore, & Fagnou, 2006).

Polymer Chemistry

In polymer chemistry, pentafluorobenzene end-groups have been utilized due to their ability to undergo fast nucleophilic aromatic substitutions. This characteristic allows the introduction of various functional moieties to the polymer backbone under mild conditions, expanding the utility of polymers in diverse applications like biotechnology and materials science (Boufflet et al., 2016).

Fluorescence and Sensing Applications

The unique electronic structure of pentafluorobenzene leads to specific fluorescence and sensing properties. For example, a pentafluorobenzene-containing fluorescent probe has been designed for monitoring hydrogen peroxide, demonstrating high selectivity and avoiding common interference in bioanalytical applications. Such probes are instrumental in medical diagnostics and environmental monitoring (Jing Su et al., 2021).

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