EPR and quantum chemical studies on structural changes in MoO₃ upon reduction

• Autorzy: Brocławik E. , Łabanowska M. , Jurkiewicz A.
• Języki publikacji: EN

Abstrakty

EN

On the basis of EPR signals registered during reduction of MoO(3) a sequence of structural changes leading to creation of paramagnetic centres has been proposed. Electronic and geometrical structures obtained from quantum chemical calculations for cluster models describing creation of various oxygen vacancies were compared with EPR interpretation of the studied paramagnetic species. Thanks to good agreement between experimental and theoretical results it was possible to verify the nature of paramagnetic sites in reduced MoO(3).

Słowa kluczowe

EN

molybdenum trioxide; reduction; EPR; modelling

PL

trójtlenek molibdenu; redukcja; elektronowy rezonans paramagnetyczny; modelowanie

• Wydawca: Centrum Upowszechniania Nauki PAN
• Czasopismo: Bulletin of the Polish Academy of Sciences. Chemistry
• Rocznik: 2002
• Tom: Vol. 50, No. 3
• Strony: 359--371
• Opis fizyczny: Bibliogr. 24 poz.

Twórcy

autor

Brocławik E.

autor

Łabanowska M.

autor

Jurkiewicz A.

• Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, Niezapominajek 8, 30-239 Cracow, Poland (Instytut Katalizy i Fizykochemii Powierzchni PAN),