Multiple dehydrogenation of fluorene cation and neutral fluorene using the statistical molecular fragmentation model
The statistical molecular fragmentation (SMF) model was used to analyze the 306 fragmentation channels (containing 611 different species) that result from the fluorene (C 13 H 10 + ) cation losing up to three hydrogen atoms (neutral radicals and/or a proton). Breakdown curves from such analysis perm...
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| Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2021-04, Vol.23 (16), p.99-991 |
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| creator | Désesquelles, Pierre Van-Oanh, Nguyen-Thi Xu, Lejin Luo, Yining Mai, Tam V.-T Huynh, Lam K Domin, Dominik |
| description | The statistical molecular fragmentation (SMF) model was used to analyze the 306 fragmentation channels (containing 611 different species) that result from the fluorene (C
13
H
10
+
) cation losing up to three hydrogen atoms (neutral radicals and/or a proton). Breakdown curves from such analysis permit one to extract experimentally inaccessible information about the fragmentation of the fluorene cation, such as the locations of the lost hydrogen atoms (or proton), yields of the neutral fragments, electronic states of the residues, and quantification of very low probability channels that would be difficult to detect. Charge localization during the fragmentation pathways was studied to provide a qualitative understanding of the fragmentation process. Breakdown curves for both the fluorene cation and neutral fluorene were compared. The SMF results match the rise and fall of the one hydrogen loss yield experimentally measured by imaging photoelectron-photoion coincidence spectroscopy using a VUV synchrotron.
The statistical molecular fragmentation model was used to analyze the 306 fragmentation channels (containing 611 different species) that result from the fluorene (C
13
H
10
+
) cation losing up to three hydrogen atoms (neutral radicals and/or a proton). |
| doi_str_mv | 10.1039/d0cp06100j |
| format | Article |
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13
H
10
+
) cation losing up to three hydrogen atoms (neutral radicals and/or a proton). Breakdown curves from such analysis permit one to extract experimentally inaccessible information about the fragmentation of the fluorene cation, such as the locations of the lost hydrogen atoms (or proton), yields of the neutral fragments, electronic states of the residues, and quantification of very low probability channels that would be difficult to detect. Charge localization during the fragmentation pathways was studied to provide a qualitative understanding of the fragmentation process. Breakdown curves for both the fluorene cation and neutral fluorene were compared. The SMF results match the rise and fall of the one hydrogen loss yield experimentally measured by imaging photoelectron-photoion coincidence spectroscopy using a VUV synchrotron.
The statistical molecular fragmentation model was used to analyze the 306 fragmentation channels (containing 611 different species) that result from the fluorene (C
13
H
10
+
) cation losing up to three hydrogen atoms (neutral radicals and/or a proton).</description><identifier>ISSN: 1463-9076</identifier><identifier>EISSN: 1463-9084</identifier><identifier>DOI: 10.1039/d0cp06100j</identifier><identifier>PMID: 33908424</identifier><language>eng</language><publisher>England: Royal Society of Chemistry</publisher><subject>Breakdown ; Cations ; Channels ; Dehydrogenation ; Electron states ; Fragmentation ; Hydrogen atoms ; Photoelectrons ; Physics ; Plasma Physics ; Protons ; Statistical analysis ; Synchrotrons</subject><ispartof>Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (16), p.99-991</ispartof><rights>Copyright Royal Society of Chemistry 2021</rights><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c408t-fd808f63267501f2455f1a08ffbf80517428ddd53ee9dd0f52079ad124ea2b613</citedby><cites>FETCH-LOGICAL-c408t-fd808f63267501f2455f1a08ffbf80517428ddd53ee9dd0f52079ad124ea2b613</cites><orcidid>0000-0002-3683-2787 ; 0000-0001-7059-6696 ; 0000-0002-9615-9942</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,881,27901,27902</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/33908424$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://hal.science/hal-03464851$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Désesquelles, Pierre</creatorcontrib><creatorcontrib>Van-Oanh, Nguyen-Thi</creatorcontrib><creatorcontrib>Xu, Lejin</creatorcontrib><creatorcontrib>Luo, Yining</creatorcontrib><creatorcontrib>Mai, Tam V.-T</creatorcontrib><creatorcontrib>Huynh, Lam K</creatorcontrib><creatorcontrib>Domin, Dominik</creatorcontrib><title>Multiple dehydrogenation of fluorene cation and neutral fluorene using the statistical molecular fragmentation model</title><title>Physical chemistry chemical physics : PCCP</title><addtitle>Phys Chem Chem Phys</addtitle><description>The statistical molecular fragmentation (SMF) model was used to analyze the 306 fragmentation channels (containing 611 different species) that result from the fluorene (C
13
H
10
+
) cation losing up to three hydrogen atoms (neutral radicals and/or a proton). Breakdown curves from such analysis permit one to extract experimentally inaccessible information about the fragmentation of the fluorene cation, such as the locations of the lost hydrogen atoms (or proton), yields of the neutral fragments, electronic states of the residues, and quantification of very low probability channels that would be difficult to detect. Charge localization during the fragmentation pathways was studied to provide a qualitative understanding of the fragmentation process. Breakdown curves for both the fluorene cation and neutral fluorene were compared. The SMF results match the rise and fall of the one hydrogen loss yield experimentally measured by imaging photoelectron-photoion coincidence spectroscopy using a VUV synchrotron.
The statistical molecular fragmentation model was used to analyze the 306 fragmentation channels (containing 611 different species) that result from the fluorene (C
13
H
10
+
) cation losing up to three hydrogen atoms (neutral radicals and/or a proton).</description><subject>Breakdown</subject><subject>Cations</subject><subject>Channels</subject><subject>Dehydrogenation</subject><subject>Electron states</subject><subject>Fragmentation</subject><subject>Hydrogen atoms</subject><subject>Photoelectrons</subject><subject>Physics</subject><subject>Plasma Physics</subject><subject>Protons</subject><subject>Statistical analysis</subject><subject>Synchrotrons</subject><issn>1463-9076</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNpd0ctvEzEQB2ALUdESuHAHrcQFkALj1z6OVQoUFAQHOK-c9TjZyGsHPyr1v6_TLamEL7ZmPo1s_wh5ReEjBd590jAcoKYA-yfkgoqaLztoxdPTuanPyfMY9wBAJeXPyDnnR8HEBUk_sk3jwWKlcXerg9-iU2n0rvKmMjb7gA6rYS4ppyuHOQVlH3s5jm5bpR1WMRUW0ziU9uQtDtmqUJmgthO6NI-YvEb7gpwZZSO-fNgX5M-Xz79X18v1z6_fVpfr5SCgTUujW2hNzVndSKCGCSkNVaVkNqYFSRvBWq215Iid1mAkg6ZTmjKBim1qyhfk_Tx3p2x_COOkwm3v1dhfX677Yw24qEUr6c3RvpvtIfi_GWPqpzEOaK1y6HPsmaQdL99d1oK8_Y_ufQ6uvOReMdFQWhf1YVZD8DEGNKcbUOiPufVXsPp1n9v3gt88jMybCfWJ_guqgNczCHE4dR-D53fDdJ0z</recordid><startdate>20210428</startdate><enddate>20210428</enddate><creator>Désesquelles, Pierre</creator><creator>Van-Oanh, Nguyen-Thi</creator><creator>Xu, Lejin</creator><creator>Luo, Yining</creator><creator>Mai, Tam V.-T</creator><creator>Huynh, Lam K</creator><creator>Domin, Dominik</creator><general>Royal Society of Chemistry</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0002-3683-2787</orcidid><orcidid>https://orcid.org/0000-0001-7059-6696</orcidid><orcidid>https://orcid.org/0000-0002-9615-9942</orcidid></search><sort><creationdate>20210428</creationdate><title>Multiple dehydrogenation of fluorene cation and neutral fluorene using the statistical molecular fragmentation model</title><author>Désesquelles, Pierre ; Van-Oanh, Nguyen-Thi ; Xu, Lejin ; Luo, Yining ; Mai, Tam V.-T ; Huynh, Lam K ; Domin, Dominik</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c408t-fd808f63267501f2455f1a08ffbf80517428ddd53ee9dd0f52079ad124ea2b613</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Breakdown</topic><topic>Cations</topic><topic>Channels</topic><topic>Dehydrogenation</topic><topic>Electron states</topic><topic>Fragmentation</topic><topic>Hydrogen atoms</topic><topic>Photoelectrons</topic><topic>Physics</topic><topic>Plasma Physics</topic><topic>Protons</topic><topic>Statistical analysis</topic><topic>Synchrotrons</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Désesquelles, Pierre</creatorcontrib><creatorcontrib>Van-Oanh, Nguyen-Thi</creatorcontrib><creatorcontrib>Xu, Lejin</creatorcontrib><creatorcontrib>Luo, Yining</creatorcontrib><creatorcontrib>Mai, Tam V.-T</creatorcontrib><creatorcontrib>Huynh, Lam K</creatorcontrib><creatorcontrib>Domin, Dominik</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Physical chemistry chemical physics : PCCP</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Désesquelles, Pierre</au><au>Van-Oanh, Nguyen-Thi</au><au>Xu, Lejin</au><au>Luo, Yining</au><au>Mai, Tam V.-T</au><au>Huynh, Lam K</au><au>Domin, Dominik</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Multiple dehydrogenation of fluorene cation and neutral fluorene using the statistical molecular fragmentation model</atitle><jtitle>Physical chemistry chemical physics : PCCP</jtitle><addtitle>Phys Chem Chem Phys</addtitle><date>2021-04-28</date><risdate>2021</risdate><volume>23</volume><issue>16</issue><spage>99</spage><epage>991</epage><pages>99-991</pages><issn>1463-9076</issn><eissn>1463-9084</eissn><abstract>The statistical molecular fragmentation (SMF) model was used to analyze the 306 fragmentation channels (containing 611 different species) that result from the fluorene (C
13
H
10
+
) cation losing up to three hydrogen atoms (neutral radicals and/or a proton). Breakdown curves from such analysis permit one to extract experimentally inaccessible information about the fragmentation of the fluorene cation, such as the locations of the lost hydrogen atoms (or proton), yields of the neutral fragments, electronic states of the residues, and quantification of very low probability channels that would be difficult to detect. Charge localization during the fragmentation pathways was studied to provide a qualitative understanding of the fragmentation process. Breakdown curves for both the fluorene cation and neutral fluorene were compared. The SMF results match the rise and fall of the one hydrogen loss yield experimentally measured by imaging photoelectron-photoion coincidence spectroscopy using a VUV synchrotron.
The statistical molecular fragmentation model was used to analyze the 306 fragmentation channels (containing 611 different species) that result from the fluorene (C
13
H
10
+
) cation losing up to three hydrogen atoms (neutral radicals and/or a proton).</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>33908424</pmid><doi>10.1039/d0cp06100j</doi><tpages>11</tpages><orcidid>https://orcid.org/0000-0002-3683-2787</orcidid><orcidid>https://orcid.org/0000-0001-7059-6696</orcidid><orcidid>https://orcid.org/0000-0002-9615-9942</orcidid></addata></record> |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Breakdown Cations Channels Dehydrogenation Electron states Fragmentation Hydrogen atoms Photoelectrons Physics Plasma Physics Protons Statistical analysis Synchrotrons |
| title | Multiple dehydrogenation of fluorene cation and neutral fluorene using the statistical molecular fragmentation model |
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