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The formation of –SRAuSR- staple in thiolate protected gold clusters from first-principlesдоклад на конференции
- Авторы: Пичугина Д.А., Мажуга А.Г., Кузьменко Н.Е., Николаев С.А., Шестаков А.Ф., Аскерка М.С.
- Международная Конференция : Faraday Discussion 162. Fabrication, Structure and Reactivity of Anchored Nanoparticles
- Даты проведения конференции: 2013
- Тип доклада: Устный
- Докладчик: Пичугина Д.А.
- Место проведения: Berlin, Germany, Germany
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Аннотация доклада:
This work presents a new suggestion for this mechanism on the basis of DFT study of methanethiol interaction Au20 cluster. We have shown the feasibility of the “relay” (or “push−pull”) mechanism of thiol dissociation on the Au20 cluster. This “relay” mechanism implies the migration of a hydrogen atom not to a gold atom of the cluster, but to the sulfur atom of a nearby thiol. So, in the presence of two thiol molecules the adsorption may occur through a “relay” mechanism, when the intermolecular hydrogen atom exchange results in the transformation of one of the thiols into a thiolate.
- Добавил в систему: Пичугина Дарья Александровна