Dissociation of [HCCH]2+ to H2+ and C2+: a benchmark reaction involving H migration, H–H combination, and C–H bond cleavage
We report the formation of H2+ and C2+ from dissociation of acetylene induced by α-particle irradiation. The unusual dissociation channel [C2H2]2+ → H2+ + C2+ is unambiguously identified by measuring the time-of-flight of both fragmented ions in coincidence. Our quantum chemical calculation confirms...
Gespeichert in:
| Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2018-01, Vol.20 (44), p.27725-27729 |
|---|---|
| Hauptverfasser: | , , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 27729 |
|---|---|
| container_issue | 44 |
| container_start_page | 27725 |
| container_title | Physical chemistry chemical physics : PCCP |
| container_volume | 20 |
| creator | Xu, Shenyue Zhao, Hongyan Zhu, Xiaolong Guo, Dalong Wentian Feng Kai-Chung, Lau Ma, Xinwen |
| description | We report the formation of H2+ and C2+ from dissociation of acetylene induced by α-particle irradiation. The unusual dissociation channel [C2H2]2+ → H2+ + C2+ is unambiguously identified by measuring the time-of-flight of both fragmented ions in coincidence. Our quantum chemical calculation confirms the existence of this dissociation pathway. It shows that [HCCH]2+ is firstly populated to the 3Π excited electronic state, followed by acetylene–vinylidene isomerization, and finally the vinylidene-like intermediate dissociates to H2+ and C2+. This dissociation channel is the simplest prototypical reaction involving H migration, H–H combination, and C–H bond cleavage. The current study plays an important role for understanding the H2+/H3+ formation reactions from organic di-cations in an interstellar medium. |
| doi_str_mv | 10.1039/c8cp05780j |
| format | Article |
| fullrecord | <record><control><sourceid>proquest</sourceid><recordid>TN_cdi_proquest_miscellaneous_2127949600</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2132696172</sourcerecordid><originalsourceid>FETCH-LOGICAL-c253t-c46364f3d8c787954d4debec34655c13d36b2b558bbcb2f719b2c26e0b57c81a3</originalsourceid><addsrcrecordid>eNpdjs1KxDAcxIMouK5efIKAF2Gt5qNJWm9SPyoseNGTyJL8m65Zu8nadPeq7-Ab-iSWunjwNMPwm2EQOqbknBKeX0AGKyJURhY7aERTyZOcZOnun1dyHx3EuCCEUEH5CH1cuxgDON254HGo8XNZFOULm-Au4LIX7StcsMkl1thYD69L3b7h1moYCs5vQrNxfo5LvHTzdpg5w-X351eJISyN89to2BliE3oLjdUbPbeHaK_WTbRHWx2jp9ubx6JMpg9398XVNAEmeJdAf1-mNa8yUJnKRVqllTUWeCqFAMorLg0zQmTGgGG1orlhwKQlRijIqOZjdPq7u2rD-9rGbrZ0EWzTaG_DOs4YZSpPc0lIj578Qxdh3fr-XU9xJnNJFeM_PgFtzA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2132696172</pqid></control><display><type>article</type><title>Dissociation of [HCCH]2+ to H2+ and C2+: a benchmark reaction involving H migration, H–H combination, and C–H bond cleavage</title><source>Royal Society Of Chemistry Journals 2008-</source><source>Alma/SFX Local Collection</source><creator>Xu, Shenyue ; Zhao, Hongyan ; Zhu, Xiaolong ; Guo, Dalong ; Wentian Feng ; Kai-Chung, Lau ; Ma, Xinwen</creator><creatorcontrib>Xu, Shenyue ; Zhao, Hongyan ; Zhu, Xiaolong ; Guo, Dalong ; Wentian Feng ; Kai-Chung, Lau ; Ma, Xinwen</creatorcontrib><description>We report the formation of H2+ and C2+ from dissociation of acetylene induced by α-particle irradiation. The unusual dissociation channel [C2H2]2+ → H2+ + C2+ is unambiguously identified by measuring the time-of-flight of both fragmented ions in coincidence. Our quantum chemical calculation confirms the existence of this dissociation pathway. It shows that [HCCH]2+ is firstly populated to the 3Π excited electronic state, followed by acetylene–vinylidene isomerization, and finally the vinylidene-like intermediate dissociates to H2+ and C2+. This dissociation channel is the simplest prototypical reaction involving H migration, H–H combination, and C–H bond cleavage. The current study plays an important role for understanding the H2+/H3+ formation reactions from organic di-cations in an interstellar medium.</description><identifier>ISSN: 1463-9076</identifier><identifier>EISSN: 1463-9084</identifier><identifier>DOI: 10.1039/c8cp05780j</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Acetylene ; Cleavage ; Electron states ; Hydrogen bonds ; Interstellar matter ; Isomerization ; Organic chemistry ; Quantum chemistry ; Vinylidene</subject><ispartof>Physical chemistry chemical physics : PCCP, 2018-01, Vol.20 (44), p.27725-27729</ispartof><rights>Copyright Royal Society of Chemistry 2018</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c253t-c46364f3d8c787954d4debec34655c13d36b2b558bbcb2f719b2c26e0b57c81a3</citedby></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Xu, Shenyue</creatorcontrib><creatorcontrib>Zhao, Hongyan</creatorcontrib><creatorcontrib>Zhu, Xiaolong</creatorcontrib><creatorcontrib>Guo, Dalong</creatorcontrib><creatorcontrib>Wentian Feng</creatorcontrib><creatorcontrib>Kai-Chung, Lau</creatorcontrib><creatorcontrib>Ma, Xinwen</creatorcontrib><title>Dissociation of [HCCH]2+ to H2+ and C2+: a benchmark reaction involving H migration, H–H combination, and C–H bond cleavage</title><title>Physical chemistry chemical physics : PCCP</title><description>We report the formation of H2+ and C2+ from dissociation of acetylene induced by α-particle irradiation. The unusual dissociation channel [C2H2]2+ → H2+ + C2+ is unambiguously identified by measuring the time-of-flight of both fragmented ions in coincidence. Our quantum chemical calculation confirms the existence of this dissociation pathway. It shows that [HCCH]2+ is firstly populated to the 3Π excited electronic state, followed by acetylene–vinylidene isomerization, and finally the vinylidene-like intermediate dissociates to H2+ and C2+. This dissociation channel is the simplest prototypical reaction involving H migration, H–H combination, and C–H bond cleavage. The current study plays an important role for understanding the H2+/H3+ formation reactions from organic di-cations in an interstellar medium.</description><subject>Acetylene</subject><subject>Cleavage</subject><subject>Electron states</subject><subject>Hydrogen bonds</subject><subject>Interstellar matter</subject><subject>Isomerization</subject><subject>Organic chemistry</subject><subject>Quantum chemistry</subject><subject>Vinylidene</subject><issn>1463-9076</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><recordid>eNpdjs1KxDAcxIMouK5efIKAF2Gt5qNJWm9SPyoseNGTyJL8m65Zu8nadPeq7-Ab-iSWunjwNMPwm2EQOqbknBKeX0AGKyJURhY7aERTyZOcZOnun1dyHx3EuCCEUEH5CH1cuxgDON254HGo8XNZFOULm-Au4LIX7StcsMkl1thYD69L3b7h1moYCs5vQrNxfo5LvHTzdpg5w-X351eJISyN89to2BliE3oLjdUbPbeHaK_WTbRHWx2jp9ubx6JMpg9398XVNAEmeJdAf1-mNa8yUJnKRVqllTUWeCqFAMorLg0zQmTGgGG1orlhwKQlRijIqOZjdPq7u2rD-9rGbrZ0EWzTaG_DOs4YZSpPc0lIj578Qxdh3fr-XU9xJnNJFeM_PgFtzA</recordid><startdate>20180101</startdate><enddate>20180101</enddate><creator>Xu, Shenyue</creator><creator>Zhao, Hongyan</creator><creator>Zhu, Xiaolong</creator><creator>Guo, Dalong</creator><creator>Wentian Feng</creator><creator>Kai-Chung, Lau</creator><creator>Ma, Xinwen</creator><general>Royal Society of Chemistry</general><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope></search><sort><creationdate>20180101</creationdate><title>Dissociation of [HCCH]2+ to H2+ and C2+: a benchmark reaction involving H migration, H–H combination, and C–H bond cleavage</title><author>Xu, Shenyue ; Zhao, Hongyan ; Zhu, Xiaolong ; Guo, Dalong ; Wentian Feng ; Kai-Chung, Lau ; Ma, Xinwen</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c253t-c46364f3d8c787954d4debec34655c13d36b2b558bbcb2f719b2c26e0b57c81a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Acetylene</topic><topic>Cleavage</topic><topic>Electron states</topic><topic>Hydrogen bonds</topic><topic>Interstellar matter</topic><topic>Isomerization</topic><topic>Organic chemistry</topic><topic>Quantum chemistry</topic><topic>Vinylidene</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Xu, Shenyue</creatorcontrib><creatorcontrib>Zhao, Hongyan</creatorcontrib><creatorcontrib>Zhu, Xiaolong</creatorcontrib><creatorcontrib>Guo, Dalong</creatorcontrib><creatorcontrib>Wentian Feng</creatorcontrib><creatorcontrib>Kai-Chung, Lau</creatorcontrib><creatorcontrib>Ma, Xinwen</creatorcontrib><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><jtitle>Physical chemistry chemical physics : PCCP</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Xu, Shenyue</au><au>Zhao, Hongyan</au><au>Zhu, Xiaolong</au><au>Guo, Dalong</au><au>Wentian Feng</au><au>Kai-Chung, Lau</au><au>Ma, Xinwen</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Dissociation of [HCCH]2+ to H2+ and C2+: a benchmark reaction involving H migration, H–H combination, and C–H bond cleavage</atitle><jtitle>Physical chemistry chemical physics : PCCP</jtitle><date>2018-01-01</date><risdate>2018</risdate><volume>20</volume><issue>44</issue><spage>27725</spage><epage>27729</epage><pages>27725-27729</pages><issn>1463-9076</issn><eissn>1463-9084</eissn><abstract>We report the formation of H2+ and C2+ from dissociation of acetylene induced by α-particle irradiation. The unusual dissociation channel [C2H2]2+ → H2+ + C2+ is unambiguously identified by measuring the time-of-flight of both fragmented ions in coincidence. Our quantum chemical calculation confirms the existence of this dissociation pathway. It shows that [HCCH]2+ is firstly populated to the 3Π excited electronic state, followed by acetylene–vinylidene isomerization, and finally the vinylidene-like intermediate dissociates to H2+ and C2+. This dissociation channel is the simplest prototypical reaction involving H migration, H–H combination, and C–H bond cleavage. The current study plays an important role for understanding the H2+/H3+ formation reactions from organic di-cations in an interstellar medium.</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><doi>10.1039/c8cp05780j</doi><tpages>5</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1463-9076 |
| ispartof | Physical chemistry chemical physics : PCCP, 2018-01, Vol.20 (44), p.27725-27729 |
| issn | 1463-9076 1463-9084 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_2127949600 |
| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Acetylene Cleavage Electron states Hydrogen bonds Interstellar matter Isomerization Organic chemistry Quantum chemistry Vinylidene |
| title | Dissociation of [HCCH]2+ to H2+ and C2+: a benchmark reaction involving H migration, H–H combination, and C–H bond cleavage |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-07T04%3A40%3A45IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Dissociation%20of%20%5BHCCH%5D2+%20to%20H2+%20and%20C2+:%20a%20benchmark%20reaction%20involving%20H%20migration,%20H%E2%80%93H%20combination,%20and%20C%E2%80%93H%20bond%20cleavage&rft.jtitle=Physical%20chemistry%20chemical%20physics%20:%20PCCP&rft.au=Xu,%20Shenyue&rft.date=2018-01-01&rft.volume=20&rft.issue=44&rft.spage=27725&rft.epage=27729&rft.pages=27725-27729&rft.issn=1463-9076&rft.eissn=1463-9084&rft_id=info:doi/10.1039/c8cp05780j&rft_dat=%3Cproquest%3E2132696172%3C/proquest%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2132696172&rft_id=info:pmid/&rfr_iscdi=true |