Author： Ruzankin S.F. Shveigert I.V. Zhidomirov G.M.
Publisher： Springer Publishing Company
ISSN： 0022-4766
Source： Journal of Structural Chemistry, Vol.43, Iss.2, 2002-03, pp. : 229-233
Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.
Abstract
Cluster calculations of the structure of the nest defect in zeolites were carried out by the density functional theory (DFT) method. The hydroxyl groups of the defect form an ordered structure stabilized by hydrogen bonds. Immobilization of Fe(II) and Fe(III) ions by the nest defect from iron chlorides is discussed for the two limiting cases of “rigid” and “labile” lattices, and the resulting structures are compared. The implanted Fe(II) and Fe(III) ions are considered as the precursors of the selective oxidation centers formed by N2O decomposition; the difference between the stabilization energies of oxygen on these centers is evaluated.
Related content
Access to resources
Recommend
Journal of Radioanalytical and Nuclear Chemistry, Vol. 298, Iss. 3, 2013-12 ,pp. :
Access to resources
From Fe(III) Ions to Ferrihydrite and then to Hematite
By Schwertmann U. Friedl J. Stanjek H.
Journal of Colloid and Interface Science, Vol. 209, Iss. 1, 1999-01 ,pp. :
By Shubin A.A. Zhidomirov G.M. Kazansky V.B. van Santen R.A.
Catalysis Letters, Vol. 90, Iss. 3-4, 2003-10 ,pp. :