"RIV/61388955:_____/07:00084560" . . "RIV/61388955:_____/07:00084560!RIV08-AV0-61388955" . "Sobal\u00EDk, Zden\u011Bk" . "V\u00EDcen\u00E1sobn\u00E1 adsorpce NO na Fe2+ kationech v .alpha. a .beta. poloh\u00E1ch ferrieritu: Experiment\u00E1ln\u00ED a DFT studium"@cs . . "Sklen\u00E1k, \u0160t\u011Bp\u00E1n" . . "Multiple Adsorption of NO on Fe2+ Cations in the .alpha.- and .beta.-Positions of Ferrierite: An Experimental and Density Functional Study"@en . "Bucko, T." . . "Benco, L." . "Adsorption of NO on Fe-exchanged ferrierite is investigated by Fourier transform infrared (FTIR) spectroscopy and ab initio periodic density functional theory (DFT) calculations. The adsorption properties of single Fe species located in the - and -site representing the two most stable locations of the extraframework cation are probed. We consider a divalent Fe(II) cation with two framework Al/Si substitutions, three configurations with two Al atoms in the six-membered ring separated by the -Si-O-Si- chain, and one configuration with two Al atoms in different channels representing a low-Al zeolite. Upon adsorption of a single NO molecule, a tetragonal pyramid forms with four in-plane Fe-O bonds to the framework and one axial Fe-N bond. Upon adsorption of a second NO molecule on a Fe2+ cation in the -2, -1, and -2 sites, a cis tetrahedral complex is formed. In the most stable configuration in the -1 site, however, ..."@en . . "4"^^ . . . . "Hru\u0161\u00E1k, Jan" . . "26" . "Adsorption of NO on Fe-exchanged ferrierite is investigated by Fourier transform infrared (FTIR) spectroscopy and ab initio periodic density functional theory (DFT) calculations. The adsorption properties of single Fe species located in the - and -site representing the two most stable locations of the extraframework cation are probed. We consider a divalent Fe(II) cation with two framework Al/Si substitutions, three configurations with two Al atoms in the six-membered ring separated by the -Si-O-Si- chain, and one configuration with two Al atoms in different channels representing a low-Al zeolite. Upon adsorption of a single NO molecule, a tetragonal pyramid forms with four in-plane Fe-O bonds to the framework and one axial Fe-N bond. Upon adsorption of a second NO molecule on a Fe2+ cation in the -2, -1, and -2 sites, a cis tetrahedral complex is formed. In the most stable configuration in the -1 site, however, ..." . "Journal of Physical Chemistry C" . "435687" . "Grybos, R." . "Multiple Adsorption of NO on Fe2+ Cations in the .alpha.- and .beta.-Positions of Ferrierite: An Experimental and Density Functional Study" . . . "1932-7447" . . . "8"^^ . "[686D8F3B774F]" . "Hafner, J." . . "Pomoc\u00ED FTIR spektroskopie a DFT ab initio periodick\u00FDmi v\u00FDpo\u010Dty byla analyzov\u00E1na adsorpce NO na ferrieritu s vym\u011Bn\u011Bn\u00FDmi Fe-ionty. Byla hodnoceny adsorp\u010Dn\u00ED vlastnosti individu\u00E1ln\u00EDch Fe struktur um\u00EDst\u011Bn\u00FDch v .beta. a .alpha. -poloh\u00E1ch, p\u0159edstavuj\u00EDc\u00EDch nejstabiln\u011Bj\u0161\u00ED posice mimo-skelet\u00E1ln\u00EDch kationt\u016F v tomto zeolitu. Byly p\u0159itom uva\u017Eov\u00E1ny koordinace reprezentuj\u00EDc\u00ED zeolit s n\u00EDzk\u00FDm obsahem hlin\u00EDku, tj. s Fe(II) kationem v\u00E1zan\u00FDm na dv\u011B Al/Si skupiny, t\u0159i odli\u0161n\u00E9 koordinace s dv\u011Bma Al atomy v \u0161esti\u010Dlenn\u00E9m kruhu, odd\u011Blen\u00FDmi \u2013Si-O-Si \u2013 \u0159et\u011Bzcem, a jedna konfigurace s dv\u011Bma Al atomy v odli\u0161n\u00FDch kan\u00E1lech. Bylo nalezeno, \u017Ee po adsorpci jedn\u00E9 molekuly NO se vytv\u00E1\u0159\u00ED tetragon\u00E1ln\u00ED pyramid\u00E1ln\u00ED forma s \u010Dty\u0159mi Fe-O vazbami na skelet zeolitu a jednou axi\u00E1ln\u00ED vazbou Fe-N. Po adsorpci druh\u00E9 molekuly NO na Fe2+ kation v .alpha. -2 a .beta. -1, a .alpha. -2, se vytv\u00E1\u0159\u00ED cis-tetraedrick\u00FD komplex.V nestabiln\u011Bj\u0161\u00ED koordinaci v beta-1 posici jsou p\u0159itom, zachov\u00E1ny plan\u00E1rn\u00ED Fe-O vazby, ..."@cs . "D\u011Bde\u010Dek, Ji\u0159\u00ED" . "111" . "V\u00EDcen\u00E1sobn\u00E1 adsorpce NO na Fe2+ kationech v .alpha. a .beta. poloh\u00E1ch ferrieritu: Experiment\u00E1ln\u00ED a DFT studium"@cs . "Multiple Adsorption of NO on Fe2+ Cations in the .alpha.- and .beta.-Positions of Ferrierite: An Experimental and Density Functional Study"@en . . . . . . "P(1ET400400413), V, Z(AV0Z40400503)" . "10"^^ . "9393;9402" . . . "Multiple Adsorption of NO on Fe2+ Cations in the .alpha.- and .beta.-Positions of Ferrierite: An Experimental and Density Functional Study" . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "NO decomposition; density functional theory; ferrierite"@en .