Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging
Experimental atomic force microscopy (AFM) studies have reported distinct features in regions with little electron density for various organic systems. These unexpected features have been proposed to be a direct visualization of intermolecular hydrogen bonding. Here, we apply a computational method...
Gespeichert in:
| Veröffentlicht in: | Applied physics letters 2016-05, Vol.108 (19) |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | |
|---|---|
| container_issue | 19 |
| container_start_page | |
| container_title | Applied physics letters |
| container_volume | 108 |
| creator | Lee, Alex J. Sakai, Yuki Kim, Minjung Chelikowsky, James R. |
| description | Experimental atomic force microscopy (AFM) studies have reported distinct features in regions with little electron density for various organic systems. These unexpected features have been proposed to be a direct visualization of intermolecular hydrogen bonding. Here, we apply a computational method using ab initio real-space pseudopotentials along with a scheme to account for tip tilting to simulate AFM images of the 8-hydroxyquinoline dimer and related systems to develop an understanding of the imaging mechanism for hydrogen bonds. We find that contrast for the observed “hydrogen bond” feature comes not from the electrostatic character of the bonds themselves but rather from repulsive tip tilting induced by neighboring electron-rich atoms. |
| doi_str_mv | 10.1063/1.4948600 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_osti_</sourceid><recordid>TN_cdi_osti_scitechconnect_1471069</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2121785725</sourcerecordid><originalsourceid>FETCH-LOGICAL-c455t-f5e56128da31d850950a08d005c5bd40dcd94d913554dfe282ec81fa0203bc1e3</originalsourceid><addsrcrecordid>eNqdkE1LAzEQhoMoWKsH_0HQk8LWzGbT3T1K8QsKgug5pMlsm9oma5IW-u9NacG7h2Fm4JmP9yXkGtgI2Jg_wKhqq2bM2AkZAKvrggM0p2TAGOPFuBVwTi5iXOZWlJwPSPjAfrOKdos02T7HKlk3pyrStEBq_No65RJdo14oZ-Oadj7Qxc4EP0dHZ96ZYmW_kXao0iZgpNZRlfKY3pMaaa6Cj9r3O2rXap6XX5KzTq0iXh3zkHw9P31OXovp-8vb5HFa6EqIVHQCxRjKxigOphGsFUyxxuTHtZiZihlt2sq0wIWoTIdlU6JuoFOsZHymAfmQ3Bz2-pisjNqmLEJ751AnCVWd_WozdHuA-uB_NhiTXPpNcPkvWUIJdSPqUmTq7kDttcSAnexDVhN2Epjc-y5BHn3P7P2B3V9UyXr3P3jrwx8oe9PxXxJrka0</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2121785725</pqid></control><display><type>article</type><title>Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging</title><source>AIP Journals Complete</source><source>Alma/SFX Local Collection</source><creator>Lee, Alex J. ; Sakai, Yuki ; Kim, Minjung ; Chelikowsky, James R.</creator><creatorcontrib>Lee, Alex J. ; Sakai, Yuki ; Kim, Minjung ; Chelikowsky, James R. ; Univ. of Texas, Austin, TX (United States)</creatorcontrib><description>Experimental atomic force microscopy (AFM) studies have reported distinct features in regions with little electron density for various organic systems. These unexpected features have been proposed to be a direct visualization of intermolecular hydrogen bonding. Here, we apply a computational method using ab initio real-space pseudopotentials along with a scheme to account for tip tilting to simulate AFM images of the 8-hydroxyquinoline dimer and related systems to develop an understanding of the imaging mechanism for hydrogen bonds. We find that contrast for the observed “hydrogen bond” feature comes not from the electrostatic character of the bonds themselves but rather from repulsive tip tilting induced by neighboring electron-rich atoms.</description><identifier>ISSN: 0003-6951</identifier><identifier>EISSN: 1077-3118</identifier><identifier>DOI: 10.1063/1.4948600</identifier><identifier>CODEN: APPLAB</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Applied physics ; Atomic force microscopy ; Chemical bonds ; Computer simulation ; Dimers ; Electron density ; Hydrogen bonding ; Hydrogen bonds ; Hydroxyquinoline ; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY ; Microscopy ; Pseudopotentials</subject><ispartof>Applied physics letters, 2016-05, Vol.108 (19)</ispartof><rights>Author(s)</rights><rights>2016 Author(s). Published by AIP Publishing.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c455t-f5e56128da31d850950a08d005c5bd40dcd94d913554dfe282ec81fa0203bc1e3</citedby><cites>FETCH-LOGICAL-c455t-f5e56128da31d850950a08d005c5bd40dcd94d913554dfe282ec81fa0203bc1e3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/apl/article-lookup/doi/10.1063/1.4948600$$EHTML$$P50$$Gscitation$$H</linktohtml><link.rule.ids>230,314,780,784,794,885,4512,27924,27925,76384</link.rule.ids><backlink>$$Uhttps://www.osti.gov/servlets/purl/1471069$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Lee, Alex J.</creatorcontrib><creatorcontrib>Sakai, Yuki</creatorcontrib><creatorcontrib>Kim, Minjung</creatorcontrib><creatorcontrib>Chelikowsky, James R.</creatorcontrib><creatorcontrib>Univ. of Texas, Austin, TX (United States)</creatorcontrib><title>Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging</title><title>Applied physics letters</title><description>Experimental atomic force microscopy (AFM) studies have reported distinct features in regions with little electron density for various organic systems. These unexpected features have been proposed to be a direct visualization of intermolecular hydrogen bonding. Here, we apply a computational method using ab initio real-space pseudopotentials along with a scheme to account for tip tilting to simulate AFM images of the 8-hydroxyquinoline dimer and related systems to develop an understanding of the imaging mechanism for hydrogen bonds. We find that contrast for the observed “hydrogen bond” feature comes not from the electrostatic character of the bonds themselves but rather from repulsive tip tilting induced by neighboring electron-rich atoms.</description><subject>Applied physics</subject><subject>Atomic force microscopy</subject><subject>Chemical bonds</subject><subject>Computer simulation</subject><subject>Dimers</subject><subject>Electron density</subject><subject>Hydrogen bonding</subject><subject>Hydrogen bonds</subject><subject>Hydroxyquinoline</subject><subject>INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY</subject><subject>Microscopy</subject><subject>Pseudopotentials</subject><issn>0003-6951</issn><issn>1077-3118</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNqdkE1LAzEQhoMoWKsH_0HQk8LWzGbT3T1K8QsKgug5pMlsm9oma5IW-u9NacG7h2Fm4JmP9yXkGtgI2Jg_wKhqq2bM2AkZAKvrggM0p2TAGOPFuBVwTi5iXOZWlJwPSPjAfrOKdos02T7HKlk3pyrStEBq_No65RJdo14oZ-Oadj7Qxc4EP0dHZ96ZYmW_kXao0iZgpNZRlfKY3pMaaa6Cj9r3O2rXap6XX5KzTq0iXh3zkHw9P31OXovp-8vb5HFa6EqIVHQCxRjKxigOphGsFUyxxuTHtZiZihlt2sq0wIWoTIdlU6JuoFOsZHymAfmQ3Bz2-pisjNqmLEJ751AnCVWd_WozdHuA-uB_NhiTXPpNcPkvWUIJdSPqUmTq7kDttcSAnexDVhN2Epjc-y5BHn3P7P2B3V9UyXr3P3jrwx8oe9PxXxJrka0</recordid><startdate>20160509</startdate><enddate>20160509</enddate><creator>Lee, Alex J.</creator><creator>Sakai, Yuki</creator><creator>Kim, Minjung</creator><creator>Chelikowsky, James R.</creator><general>American Institute of Physics</general><general>American Institute of Physics (AIP)</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>OIOZB</scope><scope>OTOTI</scope></search><sort><creationdate>20160509</creationdate><title>Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging</title><author>Lee, Alex J. ; Sakai, Yuki ; Kim, Minjung ; Chelikowsky, James R.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c455t-f5e56128da31d850950a08d005c5bd40dcd94d913554dfe282ec81fa0203bc1e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Applied physics</topic><topic>Atomic force microscopy</topic><topic>Chemical bonds</topic><topic>Computer simulation</topic><topic>Dimers</topic><topic>Electron density</topic><topic>Hydrogen bonding</topic><topic>Hydrogen bonds</topic><topic>Hydroxyquinoline</topic><topic>INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY</topic><topic>Microscopy</topic><topic>Pseudopotentials</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Lee, Alex J.</creatorcontrib><creatorcontrib>Sakai, Yuki</creatorcontrib><creatorcontrib>Kim, Minjung</creatorcontrib><creatorcontrib>Chelikowsky, James R.</creatorcontrib><creatorcontrib>Univ. of Texas, Austin, TX (United States)</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>OSTI.GOV - Hybrid</collection><collection>OSTI.GOV</collection><jtitle>Applied physics letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Lee, Alex J.</au><au>Sakai, Yuki</au><au>Kim, Minjung</au><au>Chelikowsky, James R.</au><aucorp>Univ. of Texas, Austin, TX (United States)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging</atitle><jtitle>Applied physics letters</jtitle><date>2016-05-09</date><risdate>2016</risdate><volume>108</volume><issue>19</issue><issn>0003-6951</issn><eissn>1077-3118</eissn><coden>APPLAB</coden><abstract>Experimental atomic force microscopy (AFM) studies have reported distinct features in regions with little electron density for various organic systems. These unexpected features have been proposed to be a direct visualization of intermolecular hydrogen bonding. Here, we apply a computational method using ab initio real-space pseudopotentials along with a scheme to account for tip tilting to simulate AFM images of the 8-hydroxyquinoline dimer and related systems to develop an understanding of the imaging mechanism for hydrogen bonds. We find that contrast for the observed “hydrogen bond” feature comes not from the electrostatic character of the bonds themselves but rather from repulsive tip tilting induced by neighboring electron-rich atoms.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/1.4948600</doi><tpages>5</tpages><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0003-6951 |
| ispartof | Applied physics letters, 2016-05, Vol.108 (19) |
| issn | 0003-6951 1077-3118 |
| language | eng |
| recordid | cdi_osti_scitechconnect_1471069 |
| source | AIP Journals Complete; Alma/SFX Local Collection |
| subjects | Applied physics Atomic force microscopy Chemical bonds Computer simulation Dimers Electron density Hydrogen bonding Hydrogen bonds Hydroxyquinoline INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Microscopy Pseudopotentials |
| title | Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-28T02%3A31%3A21IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_osti_&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Repulsive%20tip%20tilting%20as%20the%20dominant%20mechanism%20for%20hydrogen%20bond-like%20features%20in%20atomic%20force%20microscopy%20imaging&rft.jtitle=Applied%20physics%20letters&rft.au=Lee,%20Alex%20J.&rft.aucorp=Univ.%20of%20Texas,%20Austin,%20TX%20(United%20States)&rft.date=2016-05-09&rft.volume=108&rft.issue=19&rft.issn=0003-6951&rft.eissn=1077-3118&rft.coden=APPLAB&rft_id=info:doi/10.1063/1.4948600&rft_dat=%3Cproquest_osti_%3E2121785725%3C/proquest_osti_%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2121785725&rft_id=info:pmid/&rfr_iscdi=true |