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

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
Pages (from-to)	404-409
Number of pages	6
Journal	Journal of Structural Chemistry
Volume	44
Issue number	3
DOIs	https://doi.org/10.1023/B:JORY.0000009667.51492.c8
Publication status	Published - May 2003

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Keywords

Density functional theory
EPR spectra
Photolysis
Thiocyanates

ASJC Scopus subject areas

Inorganic Chemistry
Physical and Theoretical Chemistry

Cite this

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

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AU - Babovskaya, L. V.

AU - Lapin, A. E.

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AB - 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.

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KW - EPR spectra

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10.1023/B:JORY.0000009667.51492.c8