Delocalization of Protons in Liquid Water
We find that the vibrational potential of the O-H stretch vibrations of liquid water shows extreme anharmonicity that arises from the O-H ... O hydrogen bond interaction. We observe that already in the second excited state of the O-H stretch vibration, the hydrogen atom becomes delocalized between t...
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| Veröffentlicht in: | Science (American Association for the Advancement of Science) 2002-07, Vol.297 (5581), p.587-590 |
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| creator | Bakker, H. J. H. -K. Nienhuys |
| description | We find that the vibrational potential of the O-H stretch vibrations of liquid water shows extreme anharmonicity that arises from the O-H ... O hydrogen bond interaction. We observe that already in the second excited state of the O-H stretch vibration, the hydrogen atom becomes delocalized between the oxygen atoms of two neighboring water molecules. The energy required for this delocalization is unexpectedly low and corresponds to less than 20% of the dissociation energy of the O-H bond of the water molecule in the gas phase. |
| doi_str_mv | 10.1126/science.1073298 |
| format | Article |
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J. ; H. -K. Nienhuys</creator><creatorcontrib>Bakker, H. J. ; H. -K. Nienhuys</creatorcontrib><description>We find that the vibrational potential of the O-H stretch vibrations of liquid water shows extreme anharmonicity that arises from the O-H ... O hydrogen bond interaction. We observe that already in the second excited state of the O-H stretch vibration, the hydrogen atom becomes delocalized between the oxygen atoms of two neighboring water molecules. The energy required for this delocalization is unexpectedly low and corresponds to less than 20% of the dissociation energy of the O-H bond of the water molecule in the gas phase.</description><identifier>ISSN: 0036-8075</identifier><identifier>EISSN: 1095-9203</identifier><identifier>DOI: 10.1126/science.1073298</identifier><identifier>PMID: 12142533</identifier><identifier>CODEN: SCIEAS</identifier><language>eng</language><publisher>Washington, DC: American Association for the Advancement of Science</publisher><subject>Absorption spectra ; Atoms ; Composition ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures ; Electronic transport phenomena in thin films and low-dimensional structures ; Energy ; Exact sciences and technology ; Heat ; Hydrogen ; Hydrogen bonds ; Liquids ; Molecules ; Oxygen ; Physics ; Protons ; Pumps ; Scientific Concepts ; Spectroscopy ; Vibration ; Water</subject><ispartof>Science (American Association for the Advancement of Science), 2002-07, Vol.297 (5581), p.587-590</ispartof><rights>Copyright 2002 American Association for the Advancement of Science</rights><rights>2002 INIST-CNRS</rights><rights>COPYRIGHT 2002 American Association for the Advancement of Science</rights><rights>COPYRIGHT 2002 American Association for the Advancement of Science</rights><rights>Copyright American Association for the Advancement of Science Jul 26, 2002</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c706t-5b27397bfb2e8eba1e277b4133ffb2b27832d9b20027de090d2a15a099dd18383</citedby><cites>FETCH-LOGICAL-c706t-5b27397bfb2e8eba1e277b4133ffb2b27832d9b20027de090d2a15a099dd18383</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.jstor.org/stable/pdf/3832159$$EPDF$$P50$$Gjstor$$H</linktopdf><linktohtml>$$Uhttps://www.jstor.org/stable/3832159$$EHTML$$P50$$Gjstor$$H</linktohtml><link.rule.ids>314,776,780,799,2871,2872,27901,27902,57992,58225</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=13835459$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/12142533$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Bakker, H. 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The energy required for this delocalization is unexpectedly low and corresponds to less than 20% of the dissociation energy of the O-H bond of the water molecule in the gas phase.</description><subject>Absorption spectra</subject><subject>Atoms</subject><subject>Composition</subject><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures</subject><subject>Electronic transport phenomena in thin films and low-dimensional structures</subject><subject>Energy</subject><subject>Exact sciences and technology</subject><subject>Heat</subject><subject>Hydrogen</subject><subject>Hydrogen bonds</subject><subject>Liquids</subject><subject>Molecules</subject><subject>Oxygen</subject><subject>Physics</subject><subject>Protons</subject><subject>Pumps</subject><subject>Scientific Concepts</subject><subject>Spectroscopy</subject><subject>Vibration</subject><subject>Water</subject><issn>0036-8075</issn><issn>1095-9203</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2002</creationdate><recordtype>article</recordtype><sourceid>8G5</sourceid><sourceid>BEC</sourceid><sourceid>BENPR</sourceid><sourceid>GUQSH</sourceid><sourceid>M2O</sourceid><recordid>eNqN0l2L1DAUBuAgijuuXnsjMgh-wXb3JGmb5nIddVwYHMGvy5Cmp0OGTrKbtKD-ejNMcRkZdMhFIe_TnJS-hDymcE4pKy-isegMnlMQnMnqDplQkEUmGfC7ZALAy6wCUZyQBzGuAVIm-X1yQhnNWcH5hLx-i503urO_dG-9m_p2-in43rs4tW66sDeDbabfdY_hIbnX6i7io_F5Sr6-f_dl9iFbLOdXs8tFZgSUfVbUTHAp6rZmWGGtKTIh6pxy3qatFFacNbJmAEw0CBIapmmhQcqmoRWv-Cl5uTv3OvibAWOvNjYa7Drt0A9RiZzTMi-4TPLFvyWVuSjT6P9BJtI9hNjOfvYXXPshuPS5ilFeAmelSOhsh1a6Q2Vd6_ugzQodBt15h61N25cSOAjGIfHsAE-rwY01h_yrPZ9Ijz_6lR5iVFefPx5Nl9-Opm_mx9JqvtijZ4eo8V2HK1SpF7PlHr_YcRN8jAFbdR3sRoefioLa9lmNfVZjn9MbT8cfMtQbbG79WOAEno9Ax1TjNmhnbLx1qVBFXmy78mTn1rH34U-eYkZT_Bvly_-c</recordid><startdate>20020726</startdate><enddate>20020726</enddate><creator>Bakker, H. 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The energy required for this delocalization is unexpectedly low and corresponds to less than 20% of the dissociation energy of the O-H bond of the water molecule in the gas phase.</abstract><cop>Washington, DC</cop><pub>American Association for the Advancement of Science</pub><pmid>12142533</pmid><doi>10.1126/science.1073298</doi><tpages>4</tpages></addata></record> |
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| ispartof | Science (American Association for the Advancement of Science), 2002-07, Vol.297 (5581), p.587-590 |
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| source | American Association for the Advancement of Science; Jstor Complete Legacy |
| subjects | Absorption spectra Atoms Composition Condensed matter: electronic structure, electrical, magnetic, and optical properties Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic transport phenomena in thin films and low-dimensional structures Energy Exact sciences and technology Heat Hydrogen Hydrogen bonds Liquids Molecules Oxygen Physics Protons Pumps Scientific Concepts Spectroscopy Vibration Water |
| title | Delocalization of Protons in Liquid Water |
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