Квантовохімічне дослідження взаємодії диметилкарбонату з полідиметилсилоксаном
Possible mechanisms of interaction of dimethyl carbonate with polydimethylsiloxane have been examined by density functional theory method with exchange-correlation functional B3LYP and basis set 6-31G(d,p). A carbon atom attack of the carbonyl group of dimethyl carbonate molecule at the oxygen atom...
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| Дата: | 2014 |
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| Автори: | , , , , , , |
| Формат: | Стаття |
| Мова: | Англійська |
| Опубліковано: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2014
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| Теми: | |
| Онлайн доступ: | https://www.cpts.com.ua/index.php/cpts/article/view/309 |
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| Назва журналу: | Chemistry, Physics and Technology of Surface |
Репозитарії
Chemistry, Physics and Technology of Surface| Резюме: | Possible mechanisms of interaction of dimethyl carbonate with polydimethylsiloxane have been examined by density functional theory method with exchange-correlation functional B3LYP and basis set 6-31G(d,p). A carbon atom attack of the carbonyl group of dimethyl carbonate molecule at the oxygen atom of the siloxane bridge of polydimethylsiloxane with simultanious ester oxygen atom attack of dimethyl carbonate at the silicon atom of organosilicon polymer have been found to be the most probable. |
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