The open-chain trioxide CF3OC(O)OOOC(O)OCF3

Area of Science:

• * Inorganic Chemistry
• * Photochemistry
• * Spectroscopy

Background:

• * Peroxide chemistry is crucial for understanding reactive oxygen species.
• * The synthesis of novel, highly oxygenated compounds remains a challenge.
• * Understanding the stability and decomposition pathways of such compounds is vital.

Purpose of the Study:

• * To synthesize and characterize a new open-chain trioxide: CF(3)OC(O)OOOC(O)OCF(3).
• * To investigate the thermal stability and decomposition kinetics of the synthesized trioxide.
• * To support experimental findings with quantum chemical calculations.

Main Methods:

• * Photochemical synthesis using a low-pressure mercury lamp.
• * Characterization via Infrared (IR), Raman, Ultraviolet (UV), and Nuclear Magnetic Resonance (NMR) spectroscopy.
• * Thermal stability and dissociation kinetics measurements.
• * Quantum chemical calculations for vibrational assignment and rotamer analysis.

Main Results:

• * Successful synthesis of the open-chain trioxide CF(3)OC(O)OOOC(O)OCF(3) at -40°C.
• * The compound is a colorless solid, characterized by multiple spectroscopic techniques.
• * Thermal stability observed up to -30°C, with a half-life of 1 minute at room temperature.
• * Activation energy for dissociation determined to be 86.5 kJ mol⁻¹ between -15°C and +14°C.

Conclusions:

• * The novel open-chain trioxide is synthesized and fully characterized.
• * The compound exhibits limited thermal stability, decomposing rapidly at ambient temperatures.
• * Quantum chemical calculations provide insights into the molecular structure and vibrational properties.