Microhydration effects on the electronic spectra of protonated polycyclic aromatic hydrocarbons: [naphthalene-(H 2 O) n = 1,2 ]H
Vibrational and electronic spectra of protonated naphthalene (NaphH + ) microsolvated by one and two water molecules were obtained by photofragmentation spectroscopy. The IR spectrum of the monohydrated species is consistent with a structure with the proton located on the aromatic molecule, NaphH +...
Gespeichert in:
| Veröffentlicht in: | The Journal of chemical physics 2011-02, Vol.134 (7), p.074307-074307-7 |
|---|---|
| Hauptverfasser: | , , , , , , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 074307-7 |
|---|---|
| container_issue | 7 |
| container_start_page | 074307 |
| container_title | The Journal of chemical physics |
| container_volume | 134 |
| creator | Alata, Ivan Broquier, Michel Dedonder-Lardeux, Claude Jouvet, Christophe Kim, Minho Sohn, Woon Yong Kim, Sang-su Kang, Hyuk Schütz, Markus Patzer, Alexander Dopfer, Otto |
| description | Vibrational and electronic spectra of protonated naphthalene (NaphH
+
) microsolvated by one and two water molecules were obtained by photofragmentation spectroscopy. The IR spectrum of the monohydrated species is consistent with a structure with the proton located on the aromatic molecule, NaphH
+
-H
2
O. Similar to isolated NaphH
+
, the first electronic transition of NaphH
+
-H
2
O (S
1
) occurs in the visible range near 500 nm. The doubly hydrated species lacks any absorption in the visible range (420-600 nm) but absorbs in the UV range, similar to neutral Naph. This observation is consistent with a structure, in which the proton is located on the water moiety, Naph-(H
2
O)
2
H
+
.
Ab initio
calculations for [Naph-(H
2
O)
n
]H
+
confirm that the excess proton transfers from Naph to the solvent cluster upon attachment of the second water molecule. |
| doi_str_mv | 10.1063/1.3554416 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_hal_p</sourceid><recordid>TN_cdi_hal_primary_oai_HAL_hal_00915266v1</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>859057753</sourcerecordid><originalsourceid>FETCH-LOGICAL-c439t-7e950b6f85ba4a533f61589b108da2d8b6c8c33d4021a55ac9c3fea9920d448c3</originalsourceid><addsrcrecordid>eNp1kc9LHDEUx0Op6Go99B8ouVXBscnkx0wKFZZFXWGLl3qSEt5kMuyU2cmYZIW5-aebddeFHjzl5eXDh_fyRegrJZeUSPaDXjIhOKfyE5pQUqqskIp8RhNCcpopSeQROg7hHyGEFjk_REc5ZZyWnE_Qy-_WeLccaw-xdT22TWNNDDiVcWmx7dLNu741OAybErBr8OBddD1EW-PBdaMZTZcA8G6VJAZvbM6Ar1wffuLHHoZlXEJne5udzXGO789xj39hepHjv_Mv6KCBLtjT3XmCHm6u_8zm2eL-9m42XWSGMxWzwipBKtmUogIOgrFGUlGqKq1bQ16XlTSlYazmaWUQAowyrLGgVE5qztPTCTrfetMkevDtCvyoHbR6Pl3oTY8QRUUu5TNN7PctmxZ9WtsQ9aoNxnYd9Natgy6FIqIo0hR7a_rEELxt9mpK9CYbTfUum8R-21nX1crWe_I9jARcbYFg2vgWx8e2_2PTb7GxVwXVnWM</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>859057753</pqid></control><display><type>article</type><title>Microhydration effects on the electronic spectra of protonated polycyclic aromatic hydrocarbons: [naphthalene-(H 2 O) n = 1,2 ]H</title><source>MEDLINE</source><source>AIP Journals Complete</source><source>AIP Digital Archive</source><source>Alma/SFX Local Collection</source><creator>Alata, Ivan ; Broquier, Michel ; Dedonder-Lardeux, Claude ; Jouvet, Christophe ; Kim, Minho ; Sohn, Woon Yong ; Kim, Sang-su ; Kang, Hyuk ; Schütz, Markus ; Patzer, Alexander ; Dopfer, Otto</creator><creatorcontrib>Alata, Ivan ; Broquier, Michel ; Dedonder-Lardeux, Claude ; Jouvet, Christophe ; Kim, Minho ; Sohn, Woon Yong ; Kim, Sang-su ; Kang, Hyuk ; Schütz, Markus ; Patzer, Alexander ; Dopfer, Otto</creatorcontrib><description>Vibrational and electronic spectra of protonated naphthalene (NaphH
+
) microsolvated by one and two water molecules were obtained by photofragmentation spectroscopy. The IR spectrum of the monohydrated species is consistent with a structure with the proton located on the aromatic molecule, NaphH
+
-H
2
O. Similar to isolated NaphH
+
, the first electronic transition of NaphH
+
-H
2
O (S
1
) occurs in the visible range near 500 nm. The doubly hydrated species lacks any absorption in the visible range (420-600 nm) but absorbs in the UV range, similar to neutral Naph. This observation is consistent with a structure, in which the proton is located on the water moiety, Naph-(H
2
O)
2
H
+
.
Ab initio
calculations for [Naph-(H
2
O)
n
]H
+
confirm that the excess proton transfers from Naph to the solvent cluster upon attachment of the second water molecule.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.3554416</identifier><identifier>PMID: 21341844</identifier><identifier>CODEN: JCPSA6</identifier><language>eng</language><publisher>United States: American Institute of Physics</publisher><subject>Chemical Sciences ; Electrons ; Models, Molecular ; Molecular Conformation ; Naphthalenes - chemistry ; or physical chemistry ; Protons ; Solvents - chemistry ; Spectrophotometry, Infrared ; Theoretical and ; Water - chemistry</subject><ispartof>The Journal of chemical physics, 2011-02, Vol.134 (7), p.074307-074307-7</ispartof><rights>2011 American Institute of Physics</rights><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c439t-7e950b6f85ba4a533f61589b108da2d8b6c8c33d4021a55ac9c3fea9920d448c3</citedby><cites>FETCH-LOGICAL-c439t-7e950b6f85ba4a533f61589b108da2d8b6c8c33d4021a55ac9c3fea9920d448c3</cites><orcidid>0000-0002-2644-8036</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,790,881,1553,4498,27901,27902</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/21341844$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://hal.science/hal-00915266$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Alata, Ivan</creatorcontrib><creatorcontrib>Broquier, Michel</creatorcontrib><creatorcontrib>Dedonder-Lardeux, Claude</creatorcontrib><creatorcontrib>Jouvet, Christophe</creatorcontrib><creatorcontrib>Kim, Minho</creatorcontrib><creatorcontrib>Sohn, Woon Yong</creatorcontrib><creatorcontrib>Kim, Sang-su</creatorcontrib><creatorcontrib>Kang, Hyuk</creatorcontrib><creatorcontrib>Schütz, Markus</creatorcontrib><creatorcontrib>Patzer, Alexander</creatorcontrib><creatorcontrib>Dopfer, Otto</creatorcontrib><title>Microhydration effects on the electronic spectra of protonated polycyclic aromatic hydrocarbons: [naphthalene-(H 2 O) n = 1,2 ]H</title><title>The Journal of chemical physics</title><addtitle>J Chem Phys</addtitle><description>Vibrational and electronic spectra of protonated naphthalene (NaphH
+
) microsolvated by one and two water molecules were obtained by photofragmentation spectroscopy. The IR spectrum of the monohydrated species is consistent with a structure with the proton located on the aromatic molecule, NaphH
+
-H
2
O. Similar to isolated NaphH
+
, the first electronic transition of NaphH
+
-H
2
O (S
1
) occurs in the visible range near 500 nm. The doubly hydrated species lacks any absorption in the visible range (420-600 nm) but absorbs in the UV range, similar to neutral Naph. This observation is consistent with a structure, in which the proton is located on the water moiety, Naph-(H
2
O)
2
H
+
.
Ab initio
calculations for [Naph-(H
2
O)
n
]H
+
confirm that the excess proton transfers from Naph to the solvent cluster upon attachment of the second water molecule.</description><subject>Chemical Sciences</subject><subject>Electrons</subject><subject>Models, Molecular</subject><subject>Molecular Conformation</subject><subject>Naphthalenes - chemistry</subject><subject>or physical chemistry</subject><subject>Protons</subject><subject>Solvents - chemistry</subject><subject>Spectrophotometry, Infrared</subject><subject>Theoretical and</subject><subject>Water - chemistry</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2011</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNp1kc9LHDEUx0Op6Go99B8ouVXBscnkx0wKFZZFXWGLl3qSEt5kMuyU2cmYZIW5-aebddeFHjzl5eXDh_fyRegrJZeUSPaDXjIhOKfyE5pQUqqskIp8RhNCcpopSeQROg7hHyGEFjk_REc5ZZyWnE_Qy-_WeLccaw-xdT22TWNNDDiVcWmx7dLNu741OAybErBr8OBddD1EW-PBdaMZTZcA8G6VJAZvbM6Ar1wffuLHHoZlXEJne5udzXGO789xj39hepHjv_Mv6KCBLtjT3XmCHm6u_8zm2eL-9m42XWSGMxWzwipBKtmUogIOgrFGUlGqKq1bQ16XlTSlYazmaWUQAowyrLGgVE5qztPTCTrfetMkevDtCvyoHbR6Pl3oTY8QRUUu5TNN7PctmxZ9WtsQ9aoNxnYd9Natgy6FIqIo0hR7a_rEELxt9mpK9CYbTfUum8R-21nX1crWe_I9jARcbYFg2vgWx8e2_2PTb7GxVwXVnWM</recordid><startdate>20110221</startdate><enddate>20110221</enddate><creator>Alata, Ivan</creator><creator>Broquier, Michel</creator><creator>Dedonder-Lardeux, Claude</creator><creator>Jouvet, Christophe</creator><creator>Kim, Minho</creator><creator>Sohn, Woon Yong</creator><creator>Kim, Sang-su</creator><creator>Kang, Hyuk</creator><creator>Schütz, Markus</creator><creator>Patzer, Alexander</creator><creator>Dopfer, Otto</creator><general>American Institute of Physics</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>1XC</scope><orcidid>https://orcid.org/0000-0002-2644-8036</orcidid></search><sort><creationdate>20110221</creationdate><title>Microhydration effects on the electronic spectra of protonated polycyclic aromatic hydrocarbons: [naphthalene-(H 2 O) n = 1,2 ]H</title><author>Alata, Ivan ; Broquier, Michel ; Dedonder-Lardeux, Claude ; Jouvet, Christophe ; Kim, Minho ; Sohn, Woon Yong ; Kim, Sang-su ; Kang, Hyuk ; Schütz, Markus ; Patzer, Alexander ; Dopfer, Otto</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c439t-7e950b6f85ba4a533f61589b108da2d8b6c8c33d4021a55ac9c3fea9920d448c3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2011</creationdate><topic>Chemical Sciences</topic><topic>Electrons</topic><topic>Models, Molecular</topic><topic>Molecular Conformation</topic><topic>Naphthalenes - chemistry</topic><topic>or physical chemistry</topic><topic>Protons</topic><topic>Solvents - chemistry</topic><topic>Spectrophotometry, Infrared</topic><topic>Theoretical and</topic><topic>Water - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Alata, Ivan</creatorcontrib><creatorcontrib>Broquier, Michel</creatorcontrib><creatorcontrib>Dedonder-Lardeux, Claude</creatorcontrib><creatorcontrib>Jouvet, Christophe</creatorcontrib><creatorcontrib>Kim, Minho</creatorcontrib><creatorcontrib>Sohn, Woon Yong</creatorcontrib><creatorcontrib>Kim, Sang-su</creatorcontrib><creatorcontrib>Kang, Hyuk</creatorcontrib><creatorcontrib>Schütz, Markus</creatorcontrib><creatorcontrib>Patzer, Alexander</creatorcontrib><creatorcontrib>Dopfer, Otto</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>Hyper Article en Ligne (HAL)</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Alata, Ivan</au><au>Broquier, Michel</au><au>Dedonder-Lardeux, Claude</au><au>Jouvet, Christophe</au><au>Kim, Minho</au><au>Sohn, Woon Yong</au><au>Kim, Sang-su</au><au>Kang, Hyuk</au><au>Schütz, Markus</au><au>Patzer, Alexander</au><au>Dopfer, Otto</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Microhydration effects on the electronic spectra of protonated polycyclic aromatic hydrocarbons: [naphthalene-(H 2 O) n = 1,2 ]H</atitle><jtitle>The Journal of chemical physics</jtitle><addtitle>J Chem Phys</addtitle><date>2011-02-21</date><risdate>2011</risdate><volume>134</volume><issue>7</issue><spage>074307</spage><epage>074307-7</epage><pages>074307-074307-7</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><coden>JCPSA6</coden><abstract>Vibrational and electronic spectra of protonated naphthalene (NaphH
+
) microsolvated by one and two water molecules were obtained by photofragmentation spectroscopy. The IR spectrum of the monohydrated species is consistent with a structure with the proton located on the aromatic molecule, NaphH
+
-H
2
O. Similar to isolated NaphH
+
, the first electronic transition of NaphH
+
-H
2
O (S
1
) occurs in the visible range near 500 nm. The doubly hydrated species lacks any absorption in the visible range (420-600 nm) but absorbs in the UV range, similar to neutral Naph. This observation is consistent with a structure, in which the proton is located on the water moiety, Naph-(H
2
O)
2
H
+
.
Ab initio
calculations for [Naph-(H
2
O)
n
]H
+
confirm that the excess proton transfers from Naph to the solvent cluster upon attachment of the second water molecule.</abstract><cop>United States</cop><pub>American Institute of Physics</pub><pmid>21341844</pmid><doi>10.1063/1.3554416</doi><tpages>1</tpages><orcidid>https://orcid.org/0000-0002-2644-8036</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0021-9606 |
| ispartof | The Journal of chemical physics, 2011-02, Vol.134 (7), p.074307-074307-7 |
| issn | 0021-9606 1089-7690 |
| language | eng |
| recordid | cdi_hal_primary_oai_HAL_hal_00915266v1 |
| source | MEDLINE; AIP Journals Complete; AIP Digital Archive; Alma/SFX Local Collection |
| subjects | Chemical Sciences Electrons Models, Molecular Molecular Conformation Naphthalenes - chemistry or physical chemistry Protons Solvents - chemistry Spectrophotometry, Infrared Theoretical and Water - chemistry |
| title | Microhydration effects on the electronic spectra of protonated polycyclic aromatic hydrocarbons: [naphthalene-(H 2 O) n = 1,2 ]H |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-12T15%3A59%3A44IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_hal_p&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Microhydration%20effects%20on%20the%20electronic%20spectra%20of%20protonated%20polycyclic%20aromatic%20hydrocarbons:%20%5Bnaphthalene-(H%202%20O)%20n%20=%201,2%20%5DH&rft.jtitle=The%20Journal%20of%20chemical%20physics&rft.au=Alata,%20Ivan&rft.date=2011-02-21&rft.volume=134&rft.issue=7&rft.spage=074307&rft.epage=074307-7&rft.pages=074307-074307-7&rft.issn=0021-9606&rft.eissn=1089-7690&rft.coden=JCPSA6&rft_id=info:doi/10.1063/1.3554416&rft_dat=%3Cproquest_hal_p%3E859057753%3C/proquest_hal_p%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=859057753&rft_id=info:pmid/21341844&rfr_iscdi=true |