Self-assembly of a catechol-based macrocycle at the liquid-solid interface: experiments and molecular dynamics simulations
This combined experimental (STM, XPS) and molecular dynamics simulation study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle containing catechol moieties at the liquid-solid interface. STM imaging r...
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| Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2012-09, Vol.14 (34), p.11937-11943 |
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| container_title | Physical chemistry chemical physics : PCCP |
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| creator | Saiz-Poseu, Javier Martínez-Otero, Alberto Roussel, Thomas Hui, Joseph K.-H Montero, Mavis L Urcuyo, Roberto MacLachlan, Mark J Faraudo, Jordi Ruiz-Molina, Daniel |
| description | This combined experimental (STM, XPS) and molecular dynamics simulation study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle containing catechol moieties at the liquid-solid interface. STM imaging reveals a hexagonal ordering of the macrocycles at the
n
-tetradecane/Au(111) interface, compatible with a desorption of the lateral chains of the macrocycle. Interestingly, all the triangular-shaped macrocycles are oriented in the same direction, avoiding a close-packed structure. XPS experiments indicate the presence of a strong macrocycle-surface interaction. Also, MD simulations reveal substantial solvent effects. In particular, we find that co-adsorption of solvent molecules with the macrocycles induces desorption of lateral chains, and the solvent molecules act as spacers stabilizing the open self-assembly pattern.
This study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle. |
| doi_str_mv | 10.1039/c2cp41407d |
| format | Article |
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n
-tetradecane/Au(111) interface, compatible with a desorption of the lateral chains of the macrocycle. Interestingly, all the triangular-shaped macrocycles are oriented in the same direction, avoiding a close-packed structure. XPS experiments indicate the presence of a strong macrocycle-surface interaction. Also, MD simulations reveal substantial solvent effects. In particular, we find that co-adsorption of solvent molecules with the macrocycles induces desorption of lateral chains, and the solvent molecules act as spacers stabilizing the open self-assembly pattern.
This study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle.</description><identifier>ISSN: 1463-9076</identifier><identifier>EISSN: 1463-9084</identifier><identifier>DOI: 10.1039/c2cp41407d</identifier><identifier>PMID: 22847275</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Chemistry ; Exact sciences and technology ; General and physical chemistry ; Liquid-solid interfaces ; Macrocyclic compounds ; Molecular dynamics ; Scanning tunneling microscopy ; Self assembly ; Simulation ; Solvent effect ; Solvents ; Surface physical chemistry ; X-ray photoelectron spectroscopy</subject><ispartof>Physical chemistry chemical physics : PCCP, 2012-09, Vol.14 (34), p.11937-11943</ispartof><rights>2015 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c464t-6dd7e1114ab146b1e0c9bec20f2bd2ff3c55e1fe4d8bb7bc0c450b72a7cba46b3</citedby><cites>FETCH-LOGICAL-c464t-6dd7e1114ab146b1e0c9bec20f2bd2ff3c55e1fe4d8bb7bc0c450b72a7cba46b3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27915,27916</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=26290786$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/22847275$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Saiz-Poseu, Javier</creatorcontrib><creatorcontrib>Martínez-Otero, Alberto</creatorcontrib><creatorcontrib>Roussel, Thomas</creatorcontrib><creatorcontrib>Hui, Joseph K.-H</creatorcontrib><creatorcontrib>Montero, Mavis L</creatorcontrib><creatorcontrib>Urcuyo, Roberto</creatorcontrib><creatorcontrib>MacLachlan, Mark J</creatorcontrib><creatorcontrib>Faraudo, Jordi</creatorcontrib><creatorcontrib>Ruiz-Molina, Daniel</creatorcontrib><title>Self-assembly of a catechol-based macrocycle at the liquid-solid interface: experiments and molecular dynamics simulations</title><title>Physical chemistry chemical physics : PCCP</title><addtitle>Phys Chem Chem Phys</addtitle><description>This combined experimental (STM, XPS) and molecular dynamics simulation study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle containing catechol moieties at the liquid-solid interface. STM imaging reveals a hexagonal ordering of the macrocycles at the
n
-tetradecane/Au(111) interface, compatible with a desorption of the lateral chains of the macrocycle. Interestingly, all the triangular-shaped macrocycles are oriented in the same direction, avoiding a close-packed structure. XPS experiments indicate the presence of a strong macrocycle-surface interaction. Also, MD simulations reveal substantial solvent effects. In particular, we find that co-adsorption of solvent molecules with the macrocycles induces desorption of lateral chains, and the solvent molecules act as spacers stabilizing the open self-assembly pattern.
This study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle.</description><subject>Chemistry</subject><subject>Exact sciences and technology</subject><subject>General and physical chemistry</subject><subject>Liquid-solid interfaces</subject><subject>Macrocyclic compounds</subject><subject>Molecular dynamics</subject><subject>Scanning tunneling microscopy</subject><subject>Self assembly</subject><subject>Simulation</subject><subject>Solvent effect</subject><subject>Solvents</subject><subject>Surface physical chemistry</subject><subject>X-ray photoelectron spectroscopy</subject><issn>1463-9076</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2012</creationdate><recordtype>article</recordtype><recordid>eNqN0UuLFDEQAOAgiruuXrwr8SCI0Jqk04_xJosvWPCgnptKpcJG0o9NdYPjrzcy4yxexFNC6qsqKiXEY61eaVXvXqPBxWqrOn9HnGvb1tVO9fbu6d61Z-IB83ellG50fV-cGdPbznTNufj5hVKogJlGl_ZyDhIkwkp4PafKAZOXI2CecY-JJKxyvSaZ4s0WfcVzil7GaaUcAOmNpB8L5TjStLKEqWTOiXBLkKXfTzBGZMlxLA9rnCd-KO4FSEyPjueF-Pb-3dfLj9XV5w-fLt9eVWhbu1at9x1prS24Mo_TpHDnCI0KxnkTQo1NQzqQ9b1znUOFtlGuM9Chg5JQX4gXh7pLnm824nUYIyOlBBPNGw9a9caopmnMf9C61k3d6r7QlwdaPoc5UxiWMjrkfUG_3W64XUvBT491NzeSP9E_eyjg-REAI6SQYcLIt641ZY19W9yTg8uMp-hfjZ79Kz4sPtS_ANXPrS0</recordid><startdate>20120914</startdate><enddate>20120914</enddate><creator>Saiz-Poseu, Javier</creator><creator>Martínez-Otero, Alberto</creator><creator>Roussel, Thomas</creator><creator>Hui, Joseph K.-H</creator><creator>Montero, Mavis L</creator><creator>Urcuyo, Roberto</creator><creator>MacLachlan, Mark J</creator><creator>Faraudo, Jordi</creator><creator>Ruiz-Molina, Daniel</creator><general>Royal Society of Chemistry</general><scope>IQODW</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope></search><sort><creationdate>20120914</creationdate><title>Self-assembly of a catechol-based macrocycle at the liquid-solid interface: experiments and molecular dynamics simulations</title><author>Saiz-Poseu, Javier ; Martínez-Otero, Alberto ; Roussel, Thomas ; Hui, Joseph K.-H ; Montero, Mavis L ; Urcuyo, Roberto ; MacLachlan, Mark J ; Faraudo, Jordi ; Ruiz-Molina, Daniel</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c464t-6dd7e1114ab146b1e0c9bec20f2bd2ff3c55e1fe4d8bb7bc0c450b72a7cba46b3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2012</creationdate><topic>Chemistry</topic><topic>Exact sciences and technology</topic><topic>General and physical chemistry</topic><topic>Liquid-solid interfaces</topic><topic>Macrocyclic compounds</topic><topic>Molecular dynamics</topic><topic>Scanning tunneling microscopy</topic><topic>Self assembly</topic><topic>Simulation</topic><topic>Solvent effect</topic><topic>Solvents</topic><topic>Surface physical chemistry</topic><topic>X-ray photoelectron spectroscopy</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Saiz-Poseu, Javier</creatorcontrib><creatorcontrib>Martínez-Otero, Alberto</creatorcontrib><creatorcontrib>Roussel, Thomas</creatorcontrib><creatorcontrib>Hui, Joseph K.-H</creatorcontrib><creatorcontrib>Montero, Mavis L</creatorcontrib><creatorcontrib>Urcuyo, Roberto</creatorcontrib><creatorcontrib>MacLachlan, Mark J</creatorcontrib><creatorcontrib>Faraudo, Jordi</creatorcontrib><creatorcontrib>Ruiz-Molina, Daniel</creatorcontrib><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Physical chemistry chemical physics : PCCP</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Saiz-Poseu, Javier</au><au>Martínez-Otero, Alberto</au><au>Roussel, Thomas</au><au>Hui, Joseph K.-H</au><au>Montero, Mavis L</au><au>Urcuyo, Roberto</au><au>MacLachlan, Mark J</au><au>Faraudo, Jordi</au><au>Ruiz-Molina, Daniel</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Self-assembly of a catechol-based macrocycle at the liquid-solid interface: experiments and molecular dynamics simulations</atitle><jtitle>Physical chemistry chemical physics : PCCP</jtitle><addtitle>Phys Chem Chem Phys</addtitle><date>2012-09-14</date><risdate>2012</risdate><volume>14</volume><issue>34</issue><spage>11937</spage><epage>11943</epage><pages>11937-11943</pages><issn>1463-9076</issn><eissn>1463-9084</eissn><abstract>This combined experimental (STM, XPS) and molecular dynamics simulation study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle containing catechol moieties at the liquid-solid interface. STM imaging reveals a hexagonal ordering of the macrocycles at the
n
-tetradecane/Au(111) interface, compatible with a desorption of the lateral chains of the macrocycle. Interestingly, all the triangular-shaped macrocycles are oriented in the same direction, avoiding a close-packed structure. XPS experiments indicate the presence of a strong macrocycle-surface interaction. Also, MD simulations reveal substantial solvent effects. In particular, we find that co-adsorption of solvent molecules with the macrocycles induces desorption of lateral chains, and the solvent molecules act as spacers stabilizing the open self-assembly pattern.
This study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle.</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><pmid>22847275</pmid><doi>10.1039/c2cp41407d</doi><tpages>7</tpages></addata></record> |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Chemistry Exact sciences and technology General and physical chemistry Liquid-solid interfaces Macrocyclic compounds Molecular dynamics Scanning tunneling microscopy Self assembly Simulation Solvent effect Solvents Surface physical chemistry X-ray photoelectron spectroscopy |
| title | Self-assembly of a catechol-based macrocycle at the liquid-solid interface: experiments and molecular dynamics simulations |
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