Structure of the Paramagnetic Products of Thiocyanate Photolysis at 77 K |
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| Authors: | L P Eremin O Kh Poleshchuk V A Poluboyarov L V Babovskaya A E Lapin |
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| Institution: | (1) Tomsk State Pedagogical University, Russia;(2) Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk |
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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 SCN0 radical due to ionization of the thiocyanate ion. Interaction of the SCN0 radical with the neighboring thiocyanate ion forms another radical product of photolysis — (SCN)2
- radical ion. |
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| Keywords: | thiocyanates photolysis EPR spectra density functional theory |
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