[{"data":1,"prerenderedAt":-1},["ShallowReactive",2],{"doc-seo-181884-105":3,"detail-sidebar-cat-0-en-105":81,"doc-detail-181884-en":130},{"code":4,"msg":5,"data":6},0,"ok",{"site_id":7,"language":8,"slug":9,"title":10,"keywords":11,"description":12,"schema_data":13,"social_meta":74,"head_meta":76,"extra_data":78,"updated_unix":80},105,"en","inorg-arenecharacn","Inorg-AreneCharacn","","Experimental and theoretical percent weight-loss data are reported for zirconium phosphonates and zirconium mixed phosphonates featuring arene and alkyl substituents. Thermal analysis trends show earlier volatilization for Zr(OEt)2 compared with Zr(Nap)2, with discrepancies linked to incomplete combustion and trapping or surface deposition of organic fragments. Infrared spectroscopy confirms intact organic functional groups, while solid-state 31P NMR characterizes chemically distinct phosphorus environments and provides isotropic chemical shifts for the studied compounds.",{"@graph":14,"@context":73},[15,34,56],{"@type":16,"itemListElement":17},"BreadcrumbList",[18,23,27,31],{"item":19,"name":20,"@type":21,"position":22},"https://docshare.wps.com","Home","ListItem",1,{"item":24,"name":25,"@type":21,"position":26},"https://docshare.wps.com/document/","Document",2,{"item":28,"name":29,"@type":21,"position":30},"https://docshare.wps.com/document/research-report/","Research & Report",3,{"item":32,"name":10,"@type":21,"position":33},"https://docshare.wps.com/document/inorg-arenecharacn/181884/",4,{"url":32,"name":10,"@type":35,"image":36,"author":41,"headline":10,"publisher":44,"fileFormat":47,"inLanguage":8,"description":12,"dateModified":48,"datePublished":49,"encodingFormat":47,"isAccessibleForFree":50,"interactionStatistic":51},"DigitalDocument",{"url":37,"@type":38,"width":39,"height":40},"https://docshare.wps.com/thumbnails/inorg-arenecharacn/181884.png","ImageObject",300,407,{"name":42,"@type":43},"Asher","Person",{"url":19,"name":45,"@type":46},"DocShare","Organization","application/pdf","2026-10-17","2026-09-02",true,{"@type":52,"interactionType":53,"userInteractionCount":55},"InteractionCounter",{"@type":54},"ViewAction",6,{"@type":57,"mainEntity":58},"FAQPage",[59,65,69],{"name":60,"@type":61,"acceptedAnswer":62},"How does the thermal behavior of Zr(OEt)2 compare with Zr(Nap)2 during volatilization?","Question",{"text":63,"@type":64},"Zr(OEt)2 begins volatilizing at a lower temperature (around 300 °C) than Zr(Nap)2 (around 450 °C), indicating greater thermal stability of the arene ring connected via its P–C bond.","Answer",{"name":66,"@type":61,"acceptedAnswer":67},"Why do experimental and calculated percent weight-loss values sometimes differ?",{"text":68,"@type":64},"Experimental values are generally lower than calculated ones for some compounds, attributed to incomplete combustion of organic groups and subsequent trapping or surface deposition of organic fragments, supported by a slight grayish color of the final solid after TGA.",{"name":70,"@type":61,"acceptedAnswer":71},"What do IR and solid-state 31P NMR show about the zirconium phosphonates?",{"text":72,"@type":64},"IR spectra display aromatic and alkyl vibration features that confirm the desired organic groups remain intact. Solid-state 31P NMR provides isotropic 31P chemical shifts and resolves chemically distinct phosphorus sites in the mixed phosphonate systems.","https://schema.org",{"og:url":32,"og:type":75,"og:title":10,"og:site_name":45,"og:description":12},"article",{"robots":77,"canonical":32},"index,follow",{"doc_id":79,"site_id":7},181884,1790413775,{"code":4,"msg":82,"data":83},"success",[84,88,92,96,101,105,110,114,119,122,126],{"id":22,"doc_module":4,"doc_module_name":25,"category_name":85,"show_sort_weight":86,"slug":87},"Story & Novel",90,"story-novel",{"id":26,"doc_module":4,"doc_module_name":25,"category_name":89,"show_sort_weight":90,"slug":91},"Literature",80,"literature",{"id":33,"doc_module":4,"doc_module_name":25,"category_name":93,"show_sort_weight":94,"slug":95},"Exam",70,"exam",{"id":97,"doc_module":4,"doc_module_name":25,"category_name":98,"show_sort_weight":99,"slug":100},5,"Comic",60,"comic",{"id":55,"doc_module":4,"doc_module_name":25,"category_name":102,"show_sort_weight":103,"slug":104},"Technology",50,"technology",{"id":106,"doc_module":4,"doc_module_name":25,"category_name":107,"show_sort_weight":108,"slug":109},7,"Healthcare",40,"healthcare",{"id":111,"doc_module":4,"doc_module_name":25,"category_name":29,"show_sort_weight":112,"slug":113},8,30,"research-report",{"id":115,"doc_module":4,"doc_module_name":25,"category_name":116,"show_sort_weight":117,"slug":118},9,"Religion & Spirituality",20,"religion-spirituality",{"id":117,"doc_module":4,"doc_module_name":25,"category_name":120,"show_sort_weight":117,"slug":121},"World Cup","world-cup",{"id":123,"doc_module":4,"doc_module_name":25,"category_name":124,"show_sort_weight":123,"slug":125},10,"Lifestyle","lifestyle",{"id":127,"doc_module":4,"doc_module_name":25,"category_name":128,"show_sort_weight":97,"slug":129},19,"General","general",{"code":4,"msg":82,"data":131},{"doc_id":79,"user_id":132,"nickname":42,"user_avatar":133,"doc_module":4,"category_id":111,"category_name":29,"doc_title":10,"doc_description":12,"doc_content":134,"file_id":135,"file_url":136,"file_type":137,"file_size":138,"view_count":55,"is_deleted":4,"is_public":22,"is_downloadable":22,"audit_status":22,"page_count":106,"language":139,"language_code":8,"site_id":7,"html_lang":8,"table_of_contents":140,"faqs":141,"seo_title":142,"seo_description":12,"update_tm":143,"read_time":144,"preview_page_count":4},687197207639,"https://ap-avatar.wpscdn.com/davatar_a8503ba1806abce46bf441b54a3ca4cd","|  | Tloss | exptl percent | calcd percent | percent |\n| --- | --- | --- | --- | --- |\n| compound | (°C) | weight loss | weight loss | difference |\n| Zr(Anth)2\u003Cbr>Zr(Nap)2\u003Cbr>Zr(OBut)2\u003Cbr>Zr(OEt)2\u003Cbr>Zr(Nap)1(OBut)1\u003Cbr>Zr(Nap)1(OEt)1 | 550600350450500550 | 55.9 46.7 29.9 17.4 40.9 36.3 | 56.1 47.3 32.9 21.8 41.0 37.1 | 0.4 1.3 9.1 20.2 0.2 2.2 |\n| from Figure 1 that the organic fragments of Zr(OEt)2 begin to volatilize at a lower temperature (􀀘300 °C) as compared to those of Zr(Nap)2 (􀀘450 °C), which reflects the greater thermal stability of the arene ring connected via its P-C bond. Table 1 lists the experimentally determined and theoretically calculated percent weight loss values for the zirconium phosphonates synthesized. Although the range of temperatures over which the pendant-group loss occurs varies widely (see Figures 1 and 1S), an approximate midpoint of the organic-loss temperature range is indicated. The agreement between the experimental and calculated values is very good, except for Zr(OBut)2 and Zr(OEt)2, with the experimental values being generally lower than the calculated values. The systematic discrepancy toward lower values is attributed to the incomplete combustion of the organic groups and the subsequent trapping or surface deposition of some of the organic fragments, as evidenced by a slight grayish color of the final solid after TGA analysis.6,22\u003Cbr>Figure 1 also shows that the organic functional groups of Zr(Nap)1(OEt)1 did not volatilize distinctly from one another, and therefore, the TGA of this compound does not directly yield the relative stoichiometry. If the stoichiometric parameter x (which is defined as the number of moles of H2O3PR incorporated into the zirconium mixed phosphonate) is known, the TGA trace can be used to compare the experimentally determined percent weight loss to the theoretically calculated percent weight loss, and this is what is presented in Table 1, assuming x ) 1.0 for both mixed compounds. In |  |  |  |  |\n\n| compound äarene (ppm) äalkyl (ppm) |  |  |\n| --- | --- | --- |\n| Zr(Anth)2\u003Cbr>Zr(Nap)2\u003Cbr>Zr(OBut)2\u003Cbr>Zr(OEt)2\u003Cbr>Zr(Nap)1(OBut)1\u003Cbr>Zr(Nap)1(OEt)1 | -4.0 -4.8\u003Cbr>-5.2 -5.2 | -21.0, -21.7, -22.4 -19. 8, -20. 8, -21.8 -20.9\u003Cbr>-20.9 |\n| phosphonates, strong absorptions between 1100 and 900 cm-1 assigned to the stretching modes of the-PO3 group and weaker absorptions between 600 and 400 cm-1 corresponding to the bending modes of the-PO3 group are observed.24,25 For the compounds containing naphthalene and anthracene rings, the IR spectra display absorptions for the aromatic C-H stretching modes (3100-3000 cm-1), the aromatic carbon-carbon ring stretching modes (1600-1400 cm-1), the in-plane C-H bending modes (1300-1000 cm-1), and the out-of-plane C-H ring bending modes (900-675 cm-1) .2 Compounds containing the alkyl groups possess absorptions for the asymmetric and symmetric C-H stretching modes between 3000 and 2700 cm-1, bands for the asymmetric and symmetric methyl bending modes, near 1450 and 1375 cm-1, respectively, and an absorption for themethylene scissoring mode close to the value of 1465 cm-1.26 It should be noted that the asymmetric methyl bending peak can sometimes be obscured by the methylene scissoring band.\u003Cbr>As can be seen in Figure 2, the IR spectra of Zr(Nap)2 and Zr(OBut)2 display absorptions that are attributable to the respective functional group vibrations described above, confirming that the desired organic groups are intact and present in these compounds. Similar results are observed for Zr(Anth)2 and Zr(OEt)2. Figure 2 also shows that the mixed compound, Zr(Nap) 1(OBut) 1, does indeed possess both functional group types, as evidenced by the clear presence of distinct vibrations because of the naphthyl ring and the alkyl group. A similar analysis involving its distinct functional group vibrations also held for Zr(Nap) 1(OEt) 1.\u003Cbr>Solid-State 31P NMR. Because phosphorus 31 is an NMRactive nucleus, solid-state 31P NMR spectroscopy can be used ","cbCaimpBE3ZFAtli","https://ap.wps.com/l/cbCaimpBE3ZFAtli","pdf",103076,"English","# Thermal analysis and weight-loss comparison\n## Volatilization temperatures and discrepancy causes\n# IR spectroscopy confirmation of functional groups\n## Aromatic and alkyl vibrational assignments\n# Solid-state 31P NMR characterization\n## Isotropic chemical shifts and phosphorus site resolution\n# Structural parameter estimation via d001","[{\"question\":\"How does the thermal behavior of Zr(OEt)2 compare with Zr(Nap)2 during volatilization?\",\"answer\":\"Zr(OEt)2 begins volatilizing at a lower temperature (around 300 °C) than Zr(Nap)2 (around 450 °C), indicating greater thermal stability of the arene ring connected via its P–C bond.\"},{\"question\":\"Why do experimental and calculated percent weight-loss values sometimes differ?\",\"answer\":\"Experimental values are generally lower than calculated ones for some compounds, attributed to incomplete combustion of organic groups and subsequent trapping or surface deposition of organic fragments, supported by a slight grayish color of the final solid after TGA.\"},{\"question\":\"What do IR and solid-state 31P NMR show about the zirconium phosphonates?\",\"answer\":\"IR spectra display aromatic and alkyl vibration features that confirm the desired organic groups remain intact. Solid-state 31P NMR provides isotropic 31P chemical shifts and resolves chemically distinct phosphorus sites in the mixed phosphonate systems.\"}]","Inorg-AreneCharacn | PDF",1788346348,18]