Тіон-тіольна таутомерія тіосечовинних лігандів на поверхні кремнезему

Quantum chemical calculations of the IR spectra of the thione and thiol forms of N, N'-dimethylthiourea and silica surface fragment with composition (HO)3SiCH2NHC(S)NHCH3 (density functional theory method, B3LYP/6-31G (d, p)) make it possible to fix indicator absorption bands of the tautomers....

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Bibliographic Details
Date:2015
Main Authors: Smirnova, O. V., Grebenyuk, A. G., Nazarchuk, G. I., Zub, Yu. L.
Format: Article
Language:English
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2015
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Online Access:https://www.cpts.com.ua/index.php/cpts/article/view/329
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Journal Title:Chemistry, Physics and Technology of Surface

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Chemistry, Physics and Technology of Surface