"Pyrol as a Probe Molecule for Characterisation of Alkali Metal Exchange ZSM-5: Combination of Theoretical and Experimental Study."@en . "The pyrrol interaction with alkali metal ions in ZSM-5 was investigated by IR spectroscopy. The interpretation of the IR spectra at the low coverage of pyrrol is offered based on the theoretical investigation of this system performed with the QM-pot method. Two peaks corresponding to N-H stretching vibrations observed experimentally (~90 and ~200 cm-1 red-shifted as compared to the gas phase pyrrol) are due to the formation of the H-bond between pyrrol N-H and framework oxygen atom of the Si-O-Si and Si-O-Al sequence. Very good agreement between experimental and theoretical results was achieved."@en . . "1070;1073" . . . "0009-2770" . "Chemick\u00E9 Listy" . "N/A" . "Nachtigall, Petr" . "RIV/61388955:_____/03:54030269" . . . "RIV/61388955:_____/03:54030269!RIV/2004/AV0/A54004/N" . . "624328" . "4"^^ . "zeolites; ZSM-5; alkali metal"@en . "Charakter interakce molekuly pyrolu s vysokosilik\u00E1tov\u00FDm zeolitem ZSM-5 s vym\u011Bn\u011Bn\u00FDmi ionty alkalick\u00FDch kov\u016F, pyrol interaguje se syst\u00E9mem zeolit - ion alkalick\u00E9ho kovu sou\u010Dasne dv\u011Bma zp\u016Fsoby. Prvn\u00ED je interakce .p\u00ED.-syst\u00E9mu pyrolu s iontem alkalick\u00E9ho kovu, je v\u00FDznamn\u011Bj\u0161\u00ED a ur\u010Duje koordinaci pyrolu k zeolitu. Druh\u00E1 typem interakce je vytvo\u0159en\u00ED vod\u00EDkov\u00E9 vazby mezi m\u0159\u00ED\u017Ekov\u00FDm kysl\u00EDkem zeolitu a vod\u00EDkem na dus\u00EDku molekuly pyrolu. Vznikl\u00E1 vod\u00EDkov\u00E1 vazba m\u00E1 vliv na velikost posunu N-H valen\u010Dn\u00ED vibrace k ni\u017E\u0161\u00EDm vlno\u010Dt\u016Fm pozorovan\u00E9ho v I\u010C spektrech pyrolu absorbovan\u00E9ho v ZSM-5 zeolitech vym\u011Bn\u011Bn\u00FDch ionty alkalick\u00FDch kov\u016F." . . . "Pyrol jako testovac\u00ED molekula k charakterizaci ZSM-5 s ionty alkalick\u00FDch kov\u016F: Kombinace teoretick\u00E9 a experiment\u00E1ln\u00ED studie."@cs . . "Pyrol jako testovac\u00ED molekula k charakterizaci ZSM-5 s ionty alkalick\u00FDch kov\u016F: Kombinace teoretick\u00E9 a experiment\u00E1ln\u00ED studie." . . . "0"^^ . "2"^^ . "0"^^ . . "[86E77682DB67]" . "P(LN00A032), Z(AV0Z4040901)" . "Pyrol jako testovac\u00ED molekula k charakterizaci ZSM-5 s ionty alkalick\u00FDch kov\u016F: Kombinace teoretick\u00E9 a experiment\u00E1ln\u00ED studie."@cs . "Pyrol as a Probe Molecule for Characterisation of Alkali Metal Exchange ZSM-5: Combination of Theoretical and Experimental Study."@en . . . "Ku\u010Dera, Jan" . "2"^^ . . . "CZ - \u010Cesk\u00E1 republika" . . "Pyrol jako testovac\u00ED molekula k charakterizaci ZSM-5 s ionty alkalick\u00FDch kov\u016F: Kombinace teoretick\u00E9 a experiment\u00E1ln\u00ED studie." . . "97" .