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  • The acidity of the Bronsted sites in SAPO STA-7 material is investigated by atomistic simulation techniques. The long-range interactions mainly govern the acidity where as the short-range contributions have only a limited degree of influence. The calculated population of the OH stretching frequencies for a STA-7 sample with 4.8 silicon atoms per unit cell, predicts a broad distribution ranging from 3560 cm-1 to 3585 cm-1 which is confirmed by Infrared Spectroscopy.
  • The acidity of the Bronsted sites in SAPO STA-7 material is investigated by atomistic simulation techniques. The long-range interactions mainly govern the acidity where as the short-range contributions have only a limited degree of influence. The calculated population of the OH stretching frequencies for a STA-7 sample with 4.8 silicon atoms per unit cell, predicts a broad distribution ranging from 3560 cm-1 to 3585 cm-1 which is confirmed by Infrared Spectroscopy. (en)
  • Ke studiu kyselosti Broenstedových center v materiálu SAPO STA-7 byly použity počítačové simulace. Interakce na dlouhou vzdálenost určují především kyselost, zatímco interakce na krátkou vzdálenost mají jen nepatrný vliv. Vypočítaná populace OH valenčních vibrací pro vzorky STA-7 se 4,8 křemíkovými atomy na jednotku cely předpovídají široký rozsah distribuce od 3560 cm-1 do 3585 cm-1 což je potvrzeno infračervenou spektroskopií. (cs)
Title
  • A computational study of the stretching frequencies of Bronsted acid sites in SAPO STA-7: preliminary comparison with infrared
  • A computational study of the stretching frequencies of Bronsted acid sites in SAPO STA-7: preliminary comparison with infrared (en)
  • Matematická studie valenčních vibracích Broenstedových kyselých center v materiálu SAPO STA-7: úvodní srovnání s infračervenou spektroskopií (cs)
skos:prefLabel
  • A computational study of the stretching frequencies of Bronsted acid sites in SAPO STA-7: preliminary comparison with infrared
  • A computational study of the stretching frequencies of Bronsted acid sites in SAPO STA-7: preliminary comparison with infrared (en)
  • Matematická studie valenčních vibracích Broenstedových kyselých center v materiálu SAPO STA-7: úvodní srovnání s infračervenou spektroskopií (cs)
skos:notation
  • RIV/61388955:_____/07:00085033!RIV08-AV0-61388955
http://linked.open.../vavai/riv/strany
  • 1660;1667
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • R, Z(AV0Z40400503)
http://linked.open...iv/cisloPeriodika
  • -
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 407846
http://linked.open...ai/riv/idVysledku
  • RIV/61388955:_____/07:00085033
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • Bronsted acid; SAPO STA-7 material; zeolites (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • NL - Nizozemsko
http://linked.open...ontrolniKodProRIV
  • [F482296C14EF]
http://linked.open...i/riv/nazevZdroje
  • Studies in Surface Science and Catalysis
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 170
http://linked.open...iv/tvurceVysledku
  • Čejka, Jiří
  • Bejblová, Martina
  • Maurin, G.
  • Castro, M.
  • Llewellyn, P.
  • Déroche, I.
  • Wright, P. A.
http://linked.open...n/vavai/riv/zamer
issn
  • 0167-2991
number of pages
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