{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,25]],"date-time":"2025-10-25T11:53:41Z","timestamp":1761393221815,"version":"build-2065373602"},"reference-count":43,"publisher":"Wiley","issue":"9","license":[{"start":{"date-parts":[[2004,9,17]],"date-time":"2004-09-17T00:00:00Z","timestamp":1095379200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2004,9,20]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p><jats:italic>The effect of the isomorphous substitution of some of the Si atoms in ZSM\u20105 by Ge atoms on the Br\u00f8nsted acid strength has been investigated by i) DFT calculations on cluster models of the formula ((HO)<\/jats:italic><jats:sub><jats:italic>3<\/jats:italic><\/jats:sub><jats:italic>SiO)<\/jats:italic><jats:sub><jats:italic>3<\/jats:italic><\/jats:sub><jats:italic>\u2010Al\u2010O(H)\u2010<\/jats:italic>T<jats:italic>\u2010(OSi(OH)<\/jats:italic><jats:sub><jats:italic>3<\/jats:italic><\/jats:sub><jats:italic>)<\/jats:italic><jats:sub><jats:italic>3<\/jats:italic><\/jats:sub><jats:italic>, with<\/jats:italic> T<jats:italic>=Si or Ge, and ((HO)<\/jats:italic><jats:sub><jats:italic>3<\/jats:italic><\/jats:sub><jats:italic>SiO)<\/jats:italic><jats:sub><jats:italic>3<\/jats:italic><\/jats:sub><jats:italic>\u2010Al\u2010O(H)\u2010Si\u2010(OGe(OH)<\/jats:italic><jats:sub><jats:italic>3<\/jats:italic><\/jats:sub><jats:italic>)(OSi(OH)<\/jats:italic><jats:sub><jats:italic>3<\/jats:italic><\/jats:sub><jats:italic>)<\/jats:italic><jats:sub><jats:italic>2<\/jats:italic><\/jats:sub><jats:italic>, ii) a<\/jats:italic> <jats:sup><jats:italic>31<\/jats:italic><\/jats:sup><jats:italic>P NMR study of zeolite samples contacted with trimethyl phosphine oxide probe molecules and iii) a X\u2010ray photoelectron spectroscopy (XPS) study of ZSM\u20105 and Ge\u2010ZSM\u20105 samples. The calculations reveal that the effect of Ge incorporation on the framework acidity strongly depends on the degree of substitution and on the exact<\/jats:italic> T<jats:italic>\u2010atom positions that are occupied by Ge. High Ge concentrations allow for enhanced stabilisation of the deprotonated Ge\u2010ZSM\u20105 through structural relaxation, resulting in a slightly higher acidity as compared to ZSM\u20105. This structural relaxation is not achievable in Ge\u2010ZSM\u20105 with a low Ge content, which therefore has a slightly lower acidity than ZSM\u20105. The NMR study indicates no difference between the Br\u00f8nsted acidity of ZSM\u20105(47) and Ge(0.09)ZSM\u20105(36). Instead, evidence for the presence of a substantial amount of Ge\uf8ffOH groups in the Ge\u2010containing samples was obtained from the NMR results, which is consistent with earlier FTIR studies. The XPS results do not point to an effect of Ge on the framework acidity of ZSM\u20105(47), instead, the results can be best interpreted by assuming the presence of additional Ge\uf8ffOH and Si\uf8ffOH groups near the surface of the Ge(0.08)ZSM\u20105(47) sample.<\/jats:italic><\/jats:p>","DOI":"10.1002\/cphc.200301037","type":"journal-article","created":{"date-parts":[[2004,9,17]],"date-time":"2004-09-17T07:03:07Z","timestamp":1095404587000},"page":"1328-1335","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":13,"title":["The Effect of Ge Incorporation on the Br\u00f8nsted Acidity of ZSM\u20105"],"prefix":"10.1002","volume":"5","author":[{"given":"Leon G. A.","family":"van de Water","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Martijn A.","family":"Zwijnenburg","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Willem G.","family":"Sloof","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jan C.","family":"van der Waal","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jacobus C.","family":"Jansen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Thomas","family":"Maschmeyer","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2004,9,17]]},"reference":[{"key":"e_1_2_6_1_2","doi-asserted-by":"publisher","DOI":"10.1016\/0144-2449(92)90011-D"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1039\/f19878300487"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9517(87)90233-8"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100255a005"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF00811796"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1039\/a802189i"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/0144-2449(90)90058-Y"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1016\/S1387-1811(98)00051-1"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp025792t"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1016\/S1381-1169(01)00335-1"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4684-5787-2_17"},{"key":"e_1_2_6_12_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp0304531"},{"key":"e_1_2_6_13_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcat.2004.01.022"},{"key":"e_1_2_6_14_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540141213"},{"key":"e_1_2_6_15_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp025696s"},{"key":"e_1_2_6_16_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp015574k"},{"key":"e_1_2_6_17_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp980808u"},{"key":"e_1_2_6_18_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100123a036"},{"key":"e_1_2_6_19_2","doi-asserted-by":"publisher","DOI":"10.1016\/0368-2048(88)85018-7"},{"key":"e_1_2_6_20_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0368-2048(98)00249-7"},{"key":"e_1_2_6_21_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-4332(98)00257-8"},{"key":"e_1_2_6_22_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100093a039"},{"key":"e_1_2_6_23_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100010a039"},{"key":"e_1_2_6_24_2","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9517(90)90057-Q"},{"key":"e_1_2_6_25_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr00091a006"},{"key":"e_1_2_6_26_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00017a012"},{"key":"e_1_2_6_27_2","doi-asserted-by":"publisher","DOI":"10.1107\/S0108768187098173"},{"key":"e_1_2_6_28_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp993214f"},{"key":"e_1_2_6_29_2","doi-asserted-by":"publisher","DOI":"10.1039\/a808037b"},{"key":"e_1_2_6_30_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-461X(1998)68:2<135::AID-QUA6>3.0.CO;2-W"},{"key":"e_1_2_6_31_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"e_1_2_6_32_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"e_1_2_6_33_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00523a008"},{"key":"e_1_2_6_34_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00374a017"},{"key":"e_1_2_6_35_2","unstructured":"GAMESS\u2010UK is a package of ab initio programs written by M. F. Guest J. H. van Lenthe J. Kendrick K. Schoffel and P. Sherwood with contributions from R. D. Amos R. J. Buenker H. J. J. van Dam M. Dupuis N. C. Handy I. H. Hillier P. J. Knowles V. Bonacic\u2010Koutecky W. von Niessen R. J. Harrison A. P. Rendell V. R. Saunders A. J. Stone D. J. Tozer and A. H. de Vries. The package is derived from the original GAMESS code due to"},{"key":"e_1_2_6_35_3","unstructured":"M. Dupuis D. Spangler and J. Wendoloski NRCC Software Catalog Vol. 1 Program No. QG01 (GAMESS) 1980."},{"key":"e_1_2_6_36_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.478678"},{"key":"e_1_2_6_37_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540111013"},{"key":"e_1_2_6_38_2","doi-asserted-by":"publisher","DOI":"10.1006\/jssc.1993.1137"},{"key":"e_1_2_6_39_2","doi-asserted-by":"publisher","DOI":"10.1039\/c39840001271"},{"key":"e_1_2_6_40_2","doi-asserted-by":"publisher","DOI":"10.1002\/sia.740171208"},{"volume-title":"Handbook of X\u2010ray Photoelectron Spectroscopy","year":"1992","author":"Moulder J. F.","key":"e_1_2_6_41_2"},{"key":"e_1_2_6_42_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.5.4709"}],"container-title":["ChemPhysChem"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fcphc.200301037","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/cphc.200301037","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,14]],"date-time":"2025-10-14T07:40:24Z","timestamp":1760427624000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/cphc.200301037"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2004,9,17]]},"references-count":43,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2004,9,20]]}},"alternative-id":["10.1002\/cphc.200301037"],"URL":"https:\/\/doi.org\/10.1002\/cphc.200301037","archive":["Portico"],"relation":{},"ISSN":["1439-4235","1439-7641"],"issn-type":[{"type":"print","value":"1439-4235"},{"type":"electronic","value":"1439-7641"}],"subject":[],"published":{"date-parts":[[2004,9,17]]},"assertion":[{"value":"2003-11-03","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2004-09-17","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}