The phenylselenyl radical and its reaction with molecular oxygen

Literature Information

Publication Date 2017-09-28
DOI 10.1039/C7CP05546C
Impact Factor 3.676
Authors

Artur Mardyukov, Yetsedaw A. Tsegaw, Wolfram Sander, Peter R. Schreiner


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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 18O 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.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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