Highly Structured Water Networks in Microhydrated Dodecaborate Clusters
We report a combined photoelectron spectroscopy and theoretical investigation of a series of size-selected hydrated closo-dodecaborate clusters B12X12 2–·nH2O (X = H, F, or I; n = 1–6). Distinct structural arrangements of water clusters from monomer to hexamer can be achieved by using different B12X...
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| Veröffentlicht in: | The journal of physical chemistry letters 2022-12, Vol.13 (50), p.11787-11794 |
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| container_title | The journal of physical chemistry letters |
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| creator | Jiang, Yanrong Cai, Zhaojie Yuan, Qinqin Cao, Wenjin Hu, Zhubin Sun, Haitao Wang, Xue-Bin Sun, Zhenrong |
| description | We report a combined photoelectron spectroscopy and theoretical investigation of a series of size-selected hydrated closo-dodecaborate clusters B12X12 2–·nH2O (X = H, F, or I; n = 1–6). Distinct structural arrangements of water clusters from monomer to hexamer can be achieved by using different B12X12 2– bases, illustrating the evident solute specificity. Because B–H···H–O dihydrogen bonds are stronger than O···H–O hydrogen bonds in water, the added water molecules are arranged in a unified binding mode by forming highly structured water networks manipulated by B12H12 2–. As a comparison, the hydrated B12F12 2– clusters display similar water evolution for n values of 1 and 2 but different binding modes for larger clusters, while water networks in B12I12 2– share similarities with the free water clusters. This finding provides a consistent picture of the structural diversity of hydrogen bonding networks in microhydrated dodecaborates and a molecular-level understanding of microsolvation dynamics in aqueous borate chemistry. |
| doi_str_mv | 10.1021/acs.jpclett.2c03537 |
| format | Article |
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Distinct structural arrangements of water clusters from monomer to hexamer can be achieved by using different B12X12 2– bases, illustrating the evident solute specificity. Because B–H···H–O dihydrogen bonds are stronger than O···H–O hydrogen bonds in water, the added water molecules are arranged in a unified binding mode by forming highly structured water networks manipulated by B12H12 2–. As a comparison, the hydrated B12F12 2– clusters display similar water evolution for n values of 1 and 2 but different binding modes for larger clusters, while water networks in B12I12 2– share similarities with the free water clusters. This finding provides a consistent picture of the structural diversity of hydrogen bonding networks in microhydrated dodecaborates and a molecular-level understanding of microsolvation dynamics in aqueous borate chemistry.</description><identifier>ISSN: 1948-7185</identifier><identifier>EISSN: 1948-7185</identifier><identifier>DOI: 10.1021/acs.jpclett.2c03537</identifier><identifier>PMID: 36516831</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><subject>Borates ; Boron Compounds - chemistry ; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY ; Photoelectron Spectroscopy ; Physical Insights into Chemistry, Catalysis, and Interfaces ; Water - chemistry</subject><ispartof>The journal of physical chemistry letters, 2022-12, Vol.13 (50), p.11787-11794</ispartof><rights>2022 American Chemical Society</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-a417t-8830984979bd7508230c8e045b83dd9f7bc1281e36914462c2d77c6f21ea727d3</citedby><cites>FETCH-LOGICAL-a417t-8830984979bd7508230c8e045b83dd9f7bc1281e36914462c2d77c6f21ea727d3</cites><orcidid>0000-0002-2852-4047 ; 0000-0001-8326-1780 ; 0000-0003-1471-8876 ; 0000000183261780 ; 0000000314718876 ; 0000000228524047</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c03537$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/acs.jpclett.2c03537$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>230,314,780,784,885,2763,27075,27923,27924,56737,56787</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/36516831$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/servlets/purl/1907812$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Jiang, Yanrong</creatorcontrib><creatorcontrib>Cai, Zhaojie</creatorcontrib><creatorcontrib>Yuan, Qinqin</creatorcontrib><creatorcontrib>Cao, Wenjin</creatorcontrib><creatorcontrib>Hu, Zhubin</creatorcontrib><creatorcontrib>Sun, Haitao</creatorcontrib><creatorcontrib>Wang, Xue-Bin</creatorcontrib><creatorcontrib>Sun, Zhenrong</creatorcontrib><creatorcontrib>Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)</creatorcontrib><title>Highly Structured Water Networks in Microhydrated Dodecaborate Clusters</title><title>The journal of physical chemistry letters</title><addtitle>J. Phys. Chem. Lett</addtitle><description>We report a combined photoelectron spectroscopy and theoretical investigation of a series of size-selected hydrated closo-dodecaborate clusters B12X12 2–·nH2O (X = H, F, or I; n = 1–6). Distinct structural arrangements of water clusters from monomer to hexamer can be achieved by using different B12X12 2– bases, illustrating the evident solute specificity. Because B–H···H–O dihydrogen bonds are stronger than O···H–O hydrogen bonds in water, the added water molecules are arranged in a unified binding mode by forming highly structured water networks manipulated by B12H12 2–. As a comparison, the hydrated B12F12 2– clusters display similar water evolution for n values of 1 and 2 but different binding modes for larger clusters, while water networks in B12I12 2– share similarities with the free water clusters. This finding provides a consistent picture of the structural diversity of hydrogen bonding networks in microhydrated dodecaborates and a molecular-level understanding of microsolvation dynamics in aqueous borate chemistry.</description><subject>Borates</subject><subject>Boron Compounds - chemistry</subject><subject>INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY</subject><subject>Photoelectron Spectroscopy</subject><subject>Physical Insights into Chemistry, Catalysis, and Interfaces</subject><subject>Water - chemistry</subject><issn>1948-7185</issn><issn>1948-7185</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNp9kE9PwyAYh4nRuDn9BCam8eSlkz9tgaOZuplMPajxSCgw19mVCTRm315mq_HkiZfw_N6X9wHgFMExghhdSuXHq42qTQhjrCDJCd0DQ8QzllLE8v0_9QAceb-CsOCQ0UMwIEWOCkbQEExn1duy3iZPwbUqtM7o5FUG45IHEz6te_dJ1ST3lXJ2udUuvujk2mqjZGl3t2RStz7i_hgcLGTtzUl_jsDL7c3zZJbOH6d3k6t5KjNEQ8oYgZxlnPJS0xwyTKBiBmZ5yYjWfEFLhTBDhhQcZVmBFdaUqmKBkZEUU01G4Lzra32ohFdVMGqpbNMYFQTikDKEI3TRQRtnP1rjg1hXXpm6lo2xrReY5hkrIIu_GQHSoXFD751ZiI2r1tJtBYJip1lEzaLXLHrNMXXWD2jLtdG_mR-vEbjsgO-0bV0Tpfzb8gvcl4q9</recordid><startdate>20221222</startdate><enddate>20221222</enddate><creator>Jiang, Yanrong</creator><creator>Cai, Zhaojie</creator><creator>Yuan, Qinqin</creator><creator>Cao, Wenjin</creator><creator>Hu, Zhubin</creator><creator>Sun, Haitao</creator><creator>Wang, Xue-Bin</creator><creator>Sun, Zhenrong</creator><general>American Chemical Society</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>OIOZB</scope><scope>OTOTI</scope><orcidid>https://orcid.org/0000-0002-2852-4047</orcidid><orcidid>https://orcid.org/0000-0001-8326-1780</orcidid><orcidid>https://orcid.org/0000-0003-1471-8876</orcidid><orcidid>https://orcid.org/0000000183261780</orcidid><orcidid>https://orcid.org/0000000314718876</orcidid><orcidid>https://orcid.org/0000000228524047</orcidid></search><sort><creationdate>20221222</creationdate><title>Highly Structured Water Networks in Microhydrated Dodecaborate Clusters</title><author>Jiang, Yanrong ; Cai, Zhaojie ; Yuan, Qinqin ; Cao, Wenjin ; Hu, Zhubin ; Sun, Haitao ; Wang, Xue-Bin ; Sun, Zhenrong</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a417t-8830984979bd7508230c8e045b83dd9f7bc1281e36914462c2d77c6f21ea727d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Borates</topic><topic>Boron Compounds - chemistry</topic><topic>INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY</topic><topic>Photoelectron Spectroscopy</topic><topic>Physical Insights into Chemistry, Catalysis, and Interfaces</topic><topic>Water - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Jiang, Yanrong</creatorcontrib><creatorcontrib>Cai, Zhaojie</creatorcontrib><creatorcontrib>Yuan, Qinqin</creatorcontrib><creatorcontrib>Cao, Wenjin</creatorcontrib><creatorcontrib>Hu, Zhubin</creatorcontrib><creatorcontrib>Sun, Haitao</creatorcontrib><creatorcontrib>Wang, Xue-Bin</creatorcontrib><creatorcontrib>Sun, Zhenrong</creatorcontrib><creatorcontrib>Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV - Hybrid</collection><collection>OSTI.GOV</collection><jtitle>The journal of physical chemistry letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Jiang, Yanrong</au><au>Cai, Zhaojie</au><au>Yuan, Qinqin</au><au>Cao, Wenjin</au><au>Hu, Zhubin</au><au>Sun, Haitao</au><au>Wang, Xue-Bin</au><au>Sun, Zhenrong</au><aucorp>Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Highly Structured Water Networks in Microhydrated Dodecaborate Clusters</atitle><jtitle>The journal of physical chemistry letters</jtitle><addtitle>J. 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As a comparison, the hydrated B12F12 2– clusters display similar water evolution for n values of 1 and 2 but different binding modes for larger clusters, while water networks in B12I12 2– share similarities with the free water clusters. This finding provides a consistent picture of the structural diversity of hydrogen bonding networks in microhydrated dodecaborates and a molecular-level understanding of microsolvation dynamics in aqueous borate chemistry.</abstract><cop>United States</cop><pub>American Chemical Society</pub><pmid>36516831</pmid><doi>10.1021/acs.jpclett.2c03537</doi><tpages>8</tpages><orcidid>https://orcid.org/0000-0002-2852-4047</orcidid><orcidid>https://orcid.org/0000-0001-8326-1780</orcidid><orcidid>https://orcid.org/0000-0003-1471-8876</orcidid><orcidid>https://orcid.org/0000000183261780</orcidid><orcidid>https://orcid.org/0000000314718876</orcidid><orcidid>https://orcid.org/0000000228524047</orcidid><oa>free_for_read</oa></addata></record> |
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| subjects | Borates Boron Compounds - chemistry INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Photoelectron Spectroscopy Physical Insights into Chemistry, Catalysis, and Interfaces Water - chemistry |
| title | Highly Structured Water Networks in Microhydrated Dodecaborate Clusters |
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