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 language | English |
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Pages (from-to) | 404-409 |
Number of pages | 6 |
Journal | Journal of Structural Chemistry |
Volume | 44 |
Issue number | 3 |
DOIs | |
Publication status | Published - May 2003 |
Keywords
- Density functional theory
- EPR spectra
- Photolysis
- Thiocyanates
ASJC Scopus subject areas
- Inorganic Chemistry
- Physical and Theoretical Chemistry