The Criegee intermediate-formic acid reaction explored by rotational spectroscopy

Literature Information

Publication Date 2019-07-25
DOI 10.1039/C9CP03001H
Impact Factor 3.676
Authors

Carlos Cabezas, Yasuki Endo


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Abstract

The atmospheric reaction of the simplest Criegee intermediate, CH2OO, with formic acid has been investigated in the gas phase by pulsed Fourier-transform microwave spectroscopy. The dominant nascent product from this reaction was identified as hydroperoxymethyl formate (HOOCH2OCHO), for which two different conformations, formed through independent insertion mechanisms, were observed in the discharged plasma of a CH2I2/O2/formic acid gas mixture. The conformational identifications are supported by the observation of 13C species in natural abundance together with the chemically mono substituted deuterium isotopologues. These isotopic observations further suggest that hydroperoxymethyl formate slightly decomposes, producing formic anhydride (OHCOCHO) in a dehydration reaction.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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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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