For chemists and material scientists engaged in research and development, a thorough understanding of a chemical compound's fundamental properties is crucial for successful application. Diphenyliodonium Hexafluorophosphate (CAS: 58109-40-3) is a fascinating molecule whose unique structural features dictate its behavior as a photoinitiator, arylating reagent, and oxidant. As a high-quality chemical manufacturer and supplier based in China, we are committed to providing detailed insights into the compounds we offer, empowering our clients with knowledge. If you're looking to buy chemicals, appreciating their intrinsic properties ensures optimal utilization.

Molecular Architecture: Hypervalent Iodine at its Core

The molecular structure of Diphenyliodonium Hexafluorophosphate is centered around a hypervalent iodine atom, which formally possesses a +1 oxidation state. This iodine atom is bonded to two phenyl rings (C₆H₅), forming the diphenyliodonium cation. This cation is then paired with a hexafluorophosphate anion (PF₆⁻) as the counterion. The compound's molecular formula is C₁₂H₁₀F₆IP, with a molecular weight of approximately 426.08 g/mol. The geometry around the iodine center is typically described as T-shaped, a characteristic of hypervalent iodine compounds. This specific arrangement influences its reactivity and stability.

Bonding and Electronic Configuration

The bonding within the diphenyliodonium cation follows a three-center four-electron (3c-4e) bonding model. Here, the iodine's valence orbitals interact with the phenyl ligands to form stable bonds. Computational analyses indicate that the iodine orbitals directed towards the phenyl rings possess a high degree of p-character, which is consistent with this hypervalent bonding model and explains the compound's chemical behavior. The hexafluorophosphate anion, a common and relatively inert counterion, contributes to the overall stability and solubility characteristics of the salt.

Spectroscopic Characterization: Confirming Identity and Purity

Robust spectroscopic data is essential for confirming the identity and purity of chemical compounds. Diphenyliodonium Hexafluorophosphate is characterized using various techniques:

  • Nuclear Magnetic Resonance (NMR) Spectroscopy: ¹H NMR spectra typically show characteristic signals in the aromatic region (around 7.60-7.85 ppm), confirming the presence of the phenyl groups. The purity of synthesized material is frequently assessed by NMR, often exceeding 98%.
  • Infrared (IR) Spectroscopy: IR spectra reveal distinctive absorption bands, with significant peaks around 1100 cm⁻¹ attributed to the molecular structure, including contributions from the PF₆⁻ anion.
  • UV-Visible Spectroscopy: The compound exhibits absorption primarily in the UV region, with maxima typically below 400 nm. This spectral profile is directly linked to its effectiveness as a UV-activated photoinitiator.
  • Melting Point: The reported melting point range of 140-144°C is a consistent indicator of its purity and physical state.

The Importance of Sourcing from Reliable Manufacturers

For R&D professionals and manufacturers, sourcing chemicals with well-defined structural and spectroscopic properties is critical. As a reputable manufacturer and supplier in China, we ensure that our Diphenyliodonium Hexafluorophosphate meets rigorous quality standards, supported by comprehensive analytical data. When you choose to buy from us, you are assured of a product whose structural integrity and purity are consistently maintained, enabling predictable performance in your sensitive applications, whether it's for creating advanced polymers or facilitating intricate organic synthesis. We invite you to contact us for detailed specifications and to discuss your procurement needs.