The phenylselenyl radical and its reaction with molecular oxygen. Issue 40 (3rd October 2017)

• Record Type: Journal Article
• Authors: Mardyukov, Artur; Tsegaw, Yetsedaw A.; Sander, Wolfram; Schreiner, Peter R.
• Is Part Of: Physical chemistry chemical physics. Volume 19:Issue 40(2017)
• Page Start: 27384
• Page End: 27388
• Publication Date: 2017-10-03
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c7cp05546c
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : The phenylselenyl radical and its primary oxidation products phenylselenyl peroxy and phenylselenoyl radicals were generated and subsequently isolated in solid noble gas matrices for the first time. Abstract : The current study focuses on the generation, identification, and characterization of the phenylselenyl radical using the matrix isolation technique in combination with density functional theory (B3LYP/cc-pVTZ) computations. The hitherto unknown phenylselenyl peroxy radical was synthesized by co-condensation of the phenylselenyl radical with molecular ground state triplet oxygen from the gas phase and subsequent trapping in argon matrices at 10 K. The experimental IR spectra including 18 O isotopically labelled materials compare well with the data obtained from B3LYP/cc-pVTZ computations. Upon 312 nm irradiation, the phenylselenyl peroxy radical isomerizes to the thermodynamically more stable equally novel phenylselenoyl radical.