Tetracyanoethylene, its ions and ionic fragments
Literature Information
The Fourier-transform infrared spectra of tetracyanoethylene cation, C6N4+, and several of it fragment ions: CNC+, C4N2+, C3N2+, C5N3+, and C6N3+, in solid neon are obtained via mass-selective deposition. The ions are formed via electron-impact ionization of tetracyanoethylene, mass-selected in a quadrupole mass filter and deposited together with an excess of electrons to prevent a buildup of space charge. Upon irradiation of these matrices with a tungsten lamp, electrons are mobilized and attach to electron-deficient dopants; not only neutralizing the small amount of cations in the matrix, but also forming the well-known tetracyanoethylene anion, C6N4−. For each molecular ion, the new infrared assignments are supported by density functional calculations.
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Physical Chemistry Chemical Physics

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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