Adsorption of carbon monoxide on ZSM-5 zeolites: infrared spectroscopic study and quantum-chemical calculations
Low temperature adsorption of CO was studied on H-ZSM-5 zeolites modified by dehydroxylation, ionic exchange with Al/sup 3 +/, and impregnation with Al/sub 2/O/sub 3/ and on Na-ZSM-5 and CaH-ZSM-5 zeolites. It was found that interaction of CO with framework OH groups results in the formation of a hy...
Gespeichert in:
| Veröffentlicht in: | J. Phys. Chem.; (United States) 1987-09, Vol.91 (20), p.5247-5251 |
|---|---|
| Hauptverfasser: | , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 5251 |
|---|---|
| container_issue | 20 |
| container_start_page | 5247 |
| container_title | J. Phys. Chem.; (United States) |
| container_volume | 91 |
| creator | Kustov, L. M Kazanskii, V. B Beran, Stanislav Kubelkova, Ludmila Jiru, Pavel |
| description | Low temperature adsorption of CO was studied on H-ZSM-5 zeolites modified by dehydroxylation, ionic exchange with Al/sup 3 +/, and impregnation with Al/sub 2/O/sub 3/ and on Na-ZSM-5 and CaH-ZSM-5 zeolites. It was found that interaction of CO with framework OH groups results in the formation of a hydrogen-bonded CO complex whose OH bond frequency is decreased by 310-320 cm/sup -1/ compared with that of free hydroxyls. For the less acidic framework hydroxyls in large cavities of H/sub 70/Na/sub 30/-Y zeolite the observed shift is 275 cm/sup -1/. With ZSM-5 zeolites, at least six types of electron-accepting sites are observed originating from nonframework Al species (band of CO in the interaction complex: 2132, 2222, 2202, 2195, and 2198 cm/sup -1/) and the Al/sub 2/O/sub 3/ microcrystalline phase (CO band at 2153 cm/sup -1/). The CO bond orders calculated by the CNDO/2 method for the CO interaction complexes with models of surface sites increase in the following order: > O-CO < > OH-CO approx. ..-->.. Al-CO approx. = Na-CO < alumina-CO approx. = Ca-CO < ..-->.. Si-CO < Al(cationic)-CO. A correlation between the calculated bond orders of CO and the observed vibrational frequencies of CO-forming interaction complexes is drawn. |
| doi_str_mv | 10.1021/j100304a023 |
| format | Article |
| fullrecord | <record><control><sourceid>acs_osti_</sourceid><recordid>TN_cdi_crossref_primary_10_1021_j100304a023</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>b177288434</sourcerecordid><originalsourceid>FETCH-LOGICAL-a459t-c0fab680f6acb33eaa06f7ecbf658c677d5eaed062885983acd26180e72603f93</originalsourceid><addsrcrecordid>eNptkE-LFDEQxRtRcFw9-QWCCB6kdyudTtLjbRl0FfaPMKuIl1BTnbAZe5I26YZdP71Zelk8eKqC-tWrV6-qXnM45tDwkz0HENAiNOJJteKy5bXULTytVgBNUwsl2-fVi5z3AMCF4KsqnvY5pnHyMbDoGGHale4QQ7z1vWWl_7m9qCX7Y-PgJ5s_MB9cwmR7lkdLU4qZ4uiJ5Wnu7xiGnv2eMUzzoaYbe_CEQxEdaB7w_kZ-WT1zOGT76qEeVd8-fbzefK7Pr86-bE7Pa2zleqoJHO5UB04h7YSwiKCctrRzSnaktO6lRduDarpOrjuB1DeKd2B1o0C4tTiq3iy6MU_eZCre6YZiCMWzkYpLrXWB3i8QlTdyss6MyR8w3RkO5j5Q80-ghX670CPm8lJJIZDPjytFTyhoC1YvmM-TvX0cY_pllBZamuuvW7P9vrk822x_mKbw7xYeKZt9nFMoufzXwF_P8ZIB</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Adsorption of carbon monoxide on ZSM-5 zeolites: infrared spectroscopic study and quantum-chemical calculations</title><source>ACS Publications</source><creator>Kustov, L. M ; Kazanskii, V. B ; Beran, Stanislav ; Kubelkova, Ludmila ; Jiru, Pavel</creator><creatorcontrib>Kustov, L. M ; Kazanskii, V. B ; Beran, Stanislav ; Kubelkova, Ludmila ; Jiru, Pavel ; N.D. Zelinsky Institute of Organic Chemistry, Moscow, USSR</creatorcontrib><description>Low temperature adsorption of CO was studied on H-ZSM-5 zeolites modified by dehydroxylation, ionic exchange with Al/sup 3 +/, and impregnation with Al/sub 2/O/sub 3/ and on Na-ZSM-5 and CaH-ZSM-5 zeolites. It was found that interaction of CO with framework OH groups results in the formation of a hydrogen-bonded CO complex whose OH bond frequency is decreased by 310-320 cm/sup -1/ compared with that of free hydroxyls. For the less acidic framework hydroxyls in large cavities of H/sub 70/Na/sub 30/-Y zeolite the observed shift is 275 cm/sup -1/. With ZSM-5 zeolites, at least six types of electron-accepting sites are observed originating from nonframework Al species (band of CO in the interaction complex: 2132, 2222, 2202, 2195, and 2198 cm/sup -1/) and the Al/sub 2/O/sub 3/ microcrystalline phase (CO band at 2153 cm/sup -1/). The CO bond orders calculated by the CNDO/2 method for the CO interaction complexes with models of surface sites increase in the following order: > O-CO < > OH-CO approx. ..-->.. Al-CO approx. = Na-CO < alumina-CO approx. = Ca-CO < ..-->.. Si-CO < Al(cationic)-CO. A correlation between the calculated bond orders of CO and the observed vibrational frequencies of CO-forming interaction complexes is drawn.</description><identifier>ISSN: 0022-3654</identifier><identifier>EISSN: 1541-5740</identifier><identifier>DOI: 10.1021/j100304a023</identifier><identifier>CODEN: JPCHAX</identifier><language>eng</language><publisher>Washington, DC: American Chemical Society</publisher><subject>400201 - Chemical & Physicochemical Properties ; ABSORPTION SPECTROSCOPY ; ADSORPTION ; ALKALI METAL COMPLEXES ; ALKALINE EARTH METAL COMPLEXES ; ALUMINIUM COMPOUNDS ; ALUMINIUM OXIDES ; CALCIUM COMPLEXES ; CARBON COMPOUNDS ; CARBON MONOXIDE ; CARBON OXIDES ; CHALCOGENIDES ; Chemistry ; COMPLEXES ; DATA ; ENERGY LEVELS ; Exact sciences and technology ; EXCITED STATES ; EXPERIMENTAL DATA ; General and physical chemistry ; INFORMATION ; INFRARED SPECTRA ; INORGANIC ION EXCHANGERS ; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ; ION EXCHANGE MATERIALS ; MATERIALS ; MATHEMATICAL MODELS ; MINERALS ; NUMERICAL DATA ; OXIDES ; OXYGEN COMPOUNDS ; SODIUM COMPLEXES ; Solid-gas interface ; SORPTION ; SPECTRA ; SPECTROSCOPY ; Surface physical chemistry ; SURFACE PROPERTIES ; VIBRATIONAL STATES ; ZEOLITES</subject><ispartof>J. Phys. Chem.; (United States), 1987-09, Vol.91 (20), p.5247-5251</ispartof><rights>1988 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-a459t-c0fab680f6acb33eaa06f7ecbf658c677d5eaed062885983acd26180e72603f93</citedby></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/j100304a023$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/j100304a023$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>314,776,780,881,2752,27053,27901,27902,56713,56763</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=7733604$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/biblio/5615777$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Kustov, L. M</creatorcontrib><creatorcontrib>Kazanskii, V. B</creatorcontrib><creatorcontrib>Beran, Stanislav</creatorcontrib><creatorcontrib>Kubelkova, Ludmila</creatorcontrib><creatorcontrib>Jiru, Pavel</creatorcontrib><creatorcontrib>N.D. Zelinsky Institute of Organic Chemistry, Moscow, USSR</creatorcontrib><title>Adsorption of carbon monoxide on ZSM-5 zeolites: infrared spectroscopic study and quantum-chemical calculations</title><title>J. Phys. Chem.; (United States)</title><addtitle>J. Phys. Chem</addtitle><description>Low temperature adsorption of CO was studied on H-ZSM-5 zeolites modified by dehydroxylation, ionic exchange with Al/sup 3 +/, and impregnation with Al/sub 2/O/sub 3/ and on Na-ZSM-5 and CaH-ZSM-5 zeolites. It was found that interaction of CO with framework OH groups results in the formation of a hydrogen-bonded CO complex whose OH bond frequency is decreased by 310-320 cm/sup -1/ compared with that of free hydroxyls. For the less acidic framework hydroxyls in large cavities of H/sub 70/Na/sub 30/-Y zeolite the observed shift is 275 cm/sup -1/. With ZSM-5 zeolites, at least six types of electron-accepting sites are observed originating from nonframework Al species (band of CO in the interaction complex: 2132, 2222, 2202, 2195, and 2198 cm/sup -1/) and the Al/sub 2/O/sub 3/ microcrystalline phase (CO band at 2153 cm/sup -1/). The CO bond orders calculated by the CNDO/2 method for the CO interaction complexes with models of surface sites increase in the following order: > O-CO < > OH-CO approx. ..-->.. Al-CO approx. = Na-CO < alumina-CO approx. = Ca-CO < ..-->.. Si-CO < Al(cationic)-CO. A correlation between the calculated bond orders of CO and the observed vibrational frequencies of CO-forming interaction complexes is drawn.</description><subject>400201 - Chemical & Physicochemical Properties</subject><subject>ABSORPTION SPECTROSCOPY</subject><subject>ADSORPTION</subject><subject>ALKALI METAL COMPLEXES</subject><subject>ALKALINE EARTH METAL COMPLEXES</subject><subject>ALUMINIUM COMPOUNDS</subject><subject>ALUMINIUM OXIDES</subject><subject>CALCIUM COMPLEXES</subject><subject>CARBON COMPOUNDS</subject><subject>CARBON MONOXIDE</subject><subject>CARBON OXIDES</subject><subject>CHALCOGENIDES</subject><subject>Chemistry</subject><subject>COMPLEXES</subject><subject>DATA</subject><subject>ENERGY LEVELS</subject><subject>Exact sciences and technology</subject><subject>EXCITED STATES</subject><subject>EXPERIMENTAL DATA</subject><subject>General and physical chemistry</subject><subject>INFORMATION</subject><subject>INFRARED SPECTRA</subject><subject>INORGANIC ION EXCHANGERS</subject><subject>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</subject><subject>ION EXCHANGE MATERIALS</subject><subject>MATERIALS</subject><subject>MATHEMATICAL MODELS</subject><subject>MINERALS</subject><subject>NUMERICAL DATA</subject><subject>OXIDES</subject><subject>OXYGEN COMPOUNDS</subject><subject>SODIUM COMPLEXES</subject><subject>Solid-gas interface</subject><subject>SORPTION</subject><subject>SPECTRA</subject><subject>SPECTROSCOPY</subject><subject>Surface physical chemistry</subject><subject>SURFACE PROPERTIES</subject><subject>VIBRATIONAL STATES</subject><subject>ZEOLITES</subject><issn>0022-3654</issn><issn>1541-5740</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1987</creationdate><recordtype>article</recordtype><recordid>eNptkE-LFDEQxRtRcFw9-QWCCB6kdyudTtLjbRl0FfaPMKuIl1BTnbAZe5I26YZdP71Zelk8eKqC-tWrV6-qXnM45tDwkz0HENAiNOJJteKy5bXULTytVgBNUwsl2-fVi5z3AMCF4KsqnvY5pnHyMbDoGGHale4QQ7z1vWWl_7m9qCX7Y-PgJ5s_MB9cwmR7lkdLU4qZ4uiJ5Wnu7xiGnv2eMUzzoaYbe_CEQxEdaB7w_kZ-WT1zOGT76qEeVd8-fbzefK7Pr86-bE7Pa2zleqoJHO5UB04h7YSwiKCctrRzSnaktO6lRduDarpOrjuB1DeKd2B1o0C4tTiq3iy6MU_eZCre6YZiCMWzkYpLrXWB3i8QlTdyss6MyR8w3RkO5j5Q80-ghX670CPm8lJJIZDPjytFTyhoC1YvmM-TvX0cY_pllBZamuuvW7P9vrk822x_mKbw7xYeKZt9nFMoufzXwF_P8ZIB</recordid><startdate>198709</startdate><enddate>198709</enddate><creator>Kustov, L. M</creator><creator>Kazanskii, V. B</creator><creator>Beran, Stanislav</creator><creator>Kubelkova, Ludmila</creator><creator>Jiru, Pavel</creator><general>American Chemical Society</general><scope>BSCLL</scope><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>198709</creationdate><title>Adsorption of carbon monoxide on ZSM-5 zeolites: infrared spectroscopic study and quantum-chemical calculations</title><author>Kustov, L. M ; Kazanskii, V. B ; Beran, Stanislav ; Kubelkova, Ludmila ; Jiru, Pavel</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a459t-c0fab680f6acb33eaa06f7ecbf658c677d5eaed062885983acd26180e72603f93</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1987</creationdate><topic>400201 - Chemical & Physicochemical Properties</topic><topic>ABSORPTION SPECTROSCOPY</topic><topic>ADSORPTION</topic><topic>ALKALI METAL COMPLEXES</topic><topic>ALKALINE EARTH METAL COMPLEXES</topic><topic>ALUMINIUM COMPOUNDS</topic><topic>ALUMINIUM OXIDES</topic><topic>CALCIUM COMPLEXES</topic><topic>CARBON COMPOUNDS</topic><topic>CARBON MONOXIDE</topic><topic>CARBON OXIDES</topic><topic>CHALCOGENIDES</topic><topic>Chemistry</topic><topic>COMPLEXES</topic><topic>DATA</topic><topic>ENERGY LEVELS</topic><topic>Exact sciences and technology</topic><topic>EXCITED STATES</topic><topic>EXPERIMENTAL DATA</topic><topic>General and physical chemistry</topic><topic>INFORMATION</topic><topic>INFRARED SPECTRA</topic><topic>INORGANIC ION EXCHANGERS</topic><topic>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</topic><topic>ION EXCHANGE MATERIALS</topic><topic>MATERIALS</topic><topic>MATHEMATICAL MODELS</topic><topic>MINERALS</topic><topic>NUMERICAL DATA</topic><topic>OXIDES</topic><topic>OXYGEN COMPOUNDS</topic><topic>SODIUM COMPLEXES</topic><topic>Solid-gas interface</topic><topic>SORPTION</topic><topic>SPECTRA</topic><topic>SPECTROSCOPY</topic><topic>Surface physical chemistry</topic><topic>SURFACE PROPERTIES</topic><topic>VIBRATIONAL STATES</topic><topic>ZEOLITES</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kustov, L. M</creatorcontrib><creatorcontrib>Kazanskii, V. B</creatorcontrib><creatorcontrib>Beran, Stanislav</creatorcontrib><creatorcontrib>Kubelkova, Ludmila</creatorcontrib><creatorcontrib>Jiru, Pavel</creatorcontrib><creatorcontrib>N.D. Zelinsky Institute of Organic Chemistry, Moscow, USSR</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>J. Phys. Chem.; (United States)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kustov, L. M</au><au>Kazanskii, V. B</au><au>Beran, Stanislav</au><au>Kubelkova, Ludmila</au><au>Jiru, Pavel</au><aucorp>N.D. Zelinsky Institute of Organic Chemistry, Moscow, USSR</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Adsorption of carbon monoxide on ZSM-5 zeolites: infrared spectroscopic study and quantum-chemical calculations</atitle><jtitle>J. Phys. Chem.; (United States)</jtitle><addtitle>J. Phys. Chem</addtitle><date>1987-09</date><risdate>1987</risdate><volume>91</volume><issue>20</issue><spage>5247</spage><epage>5251</epage><pages>5247-5251</pages><issn>0022-3654</issn><eissn>1541-5740</eissn><coden>JPCHAX</coden><abstract>Low temperature adsorption of CO was studied on H-ZSM-5 zeolites modified by dehydroxylation, ionic exchange with Al/sup 3 +/, and impregnation with Al/sub 2/O/sub 3/ and on Na-ZSM-5 and CaH-ZSM-5 zeolites. It was found that interaction of CO with framework OH groups results in the formation of a hydrogen-bonded CO complex whose OH bond frequency is decreased by 310-320 cm/sup -1/ compared with that of free hydroxyls. For the less acidic framework hydroxyls in large cavities of H/sub 70/Na/sub 30/-Y zeolite the observed shift is 275 cm/sup -1/. With ZSM-5 zeolites, at least six types of electron-accepting sites are observed originating from nonframework Al species (band of CO in the interaction complex: 2132, 2222, 2202, 2195, and 2198 cm/sup -1/) and the Al/sub 2/O/sub 3/ microcrystalline phase (CO band at 2153 cm/sup -1/). The CO bond orders calculated by the CNDO/2 method for the CO interaction complexes with models of surface sites increase in the following order: > O-CO < > OH-CO approx. ..-->.. Al-CO approx. = Na-CO < alumina-CO approx. = Ca-CO < ..-->.. Si-CO < Al(cationic)-CO. A correlation between the calculated bond orders of CO and the observed vibrational frequencies of CO-forming interaction complexes is drawn.</abstract><cop>Washington, DC</cop><pub>American Chemical Society</pub><doi>10.1021/j100304a023</doi><tpages>5</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0022-3654 |
| ispartof | J. Phys. Chem.; (United States), 1987-09, Vol.91 (20), p.5247-5251 |
| issn | 0022-3654 1541-5740 |
| language | eng |
| recordid | cdi_crossref_primary_10_1021_j100304a023 |
| source | ACS Publications |
| subjects | 400201 - Chemical & Physicochemical Properties ABSORPTION SPECTROSCOPY ADSORPTION ALKALI METAL COMPLEXES ALKALINE EARTH METAL COMPLEXES ALUMINIUM COMPOUNDS ALUMINIUM OXIDES CALCIUM COMPLEXES CARBON COMPOUNDS CARBON MONOXIDE CARBON OXIDES CHALCOGENIDES Chemistry COMPLEXES DATA ENERGY LEVELS Exact sciences and technology EXCITED STATES EXPERIMENTAL DATA General and physical chemistry INFORMATION INFRARED SPECTRA INORGANIC ION EXCHANGERS INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ION EXCHANGE MATERIALS MATERIALS MATHEMATICAL MODELS MINERALS NUMERICAL DATA OXIDES OXYGEN COMPOUNDS SODIUM COMPLEXES Solid-gas interface SORPTION SPECTRA SPECTROSCOPY Surface physical chemistry SURFACE PROPERTIES VIBRATIONAL STATES ZEOLITES |
| title | Adsorption of carbon monoxide on ZSM-5 zeolites: infrared spectroscopic study and quantum-chemical calculations |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-30T17%3A56%3A16IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-acs_osti_&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Adsorption%20of%20carbon%20monoxide%20on%20ZSM-5%20zeolites:%20infrared%20spectroscopic%20study%20and%20quantum-chemical%20calculations&rft.jtitle=J.%20Phys.%20Chem.;%20(United%20States)&rft.au=Kustov,%20L.%20M&rft.aucorp=N.D.%20Zelinsky%20Institute%20of%20Organic%20Chemistry,%20Moscow,%20USSR&rft.date=1987-09&rft.volume=91&rft.issue=20&rft.spage=5247&rft.epage=5251&rft.pages=5247-5251&rft.issn=0022-3654&rft.eissn=1541-5740&rft.coden=JPCHAX&rft_id=info:doi/10.1021/j100304a023&rft_dat=%3Cacs_osti_%3Eb177288434%3C/acs_osti_%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true |