Structure of the paramagnetic products of thiocyanate photolysis at 77 K

L. P. Eremin, O. Kh Poleshchuk, V. A. Poluboyarov, L. V. Babovskaya, A. E. Lapin

    Research output: Contribution to journal › Article

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    Abstract

    Solid paramagnetic products of thiocyanate photolysis were studied at 77 K by EPR and diffuse reflectance spectroscopy. Ab initio calculations of the electronic structure of these products have been carried out. Direct UV irradiation can generate the SCN 0 radical due to ionization of the thiocyanate ion. Interaction of the SCN 0 radical with the neighboring thiocyanate ion forms another radical product of photolysis - (SCN) 2 - radical ion.

    Original languageEnglish
    Pages (from-to)404-409
    Number of pages6
    JournalJournal of Structural Chemistry
    Volume44
    Issue number3
    DOIs
    Publication statusPublished - May 2003

    Keywords

    • Density functional theory
    • EPR spectra
    • Photolysis
    • Thiocyanates

    ASJC Scopus subject areas

    • Inorganic Chemistry
    • Physical and Theoretical Chemistry

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    Eremin, L. P., Poleshchuk, O. K., Poluboyarov, V. A., Babovskaya, L. V., & Lapin, A. E. (2003). Structure of the paramagnetic products of thiocyanate photolysis at 77 K. Journal of Structural Chemistry, 44(3), 404-409. https://doi.org/10.1023/B:JORY.0000009667.51492.c8