Thione-thiol tautomerism of thiourea ligands on silica surface
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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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Chuiko Institute of Surface Chemistry of NAS of Ukraine
2015-05-01
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| Series: | Хімія, фізика та технологія поверхні |
| Subjects: | |
| Online Access: | https://cpts.com.ua/index.php/cpts/article/view/329 |
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