New data on photochemistry of the interstellar molecule: HNCS. Identification of the S⋯HCN complex
Literature Information
Justyna Krupa, Iwona Kosendiak, Maria Wierzejewska
Phototransformations of isothiocyanic acid (HNCS) induced by tunable UV laser were studied in low-temperature matrices. Two isomers of the precursor HNCS molecule are formed during UV irradiation of HNCS/Ar and HNCS/N2 samples: thiocyanic acid (HSCN) and isothiofulminic acid (HSNC). In addition, a complex between hydrogen cyanide and a ground state (3P) sulfur atom appears at irradiation with wavelength λ < 290 nm. The vibrational bands of the S⋯HCN complex are observed at 3217.0 and 746.5 cm−1 in Ar and 3223.5 and 764.5/752.0 cm−1 in N2. At the beginning of irradiation S⋯HCN is produced from the HNCS precursor. At longer times the main sources of the complex are HSCN and HSNC species. In solid nitrogen, HCN monomers are observed besides S⋯HCN, indicating efficient escape of atomic sulfur out of the matrix cage occupied by the precursor. Differences in the extent of the observed processes are discussed in relation to the wavelength of the UV radiation applied and the type of matrices. Results of the computational studies on the S⋯HCN geometry and infrared spectra are presented and compared with experimental data.
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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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