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LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00004893naa a2200433 4500
001oai:DiVA.org:liu-202913
003SwePub
008240422s2024 | |||||||||||000 ||eng|
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-2029132 URI
0247 a https://doi.org/10.1002/admi.2024002222 DOI
040 a (SwePub)liu
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
1001 a Lyu, Yuanhaou Chinese Acad Sci, Peoples R China; Univ Chinese Acad Sci, Peoples R China4 aut
2451 0a Unraveling Enyne Bonding via Dehydrogenation-Hydrogenation Processes in On-Surface Synthesis with Terminal Alkynes
264 c 2024
264 1b WILEY,c 2024
338 a print2 rdacarrier
500 a Funding Agencies|National Natural Science Foundation of China [12174431, 1192780039]; Strategic Priority Research Program of the Chinese Academy of Sciences [XDB30000000]; Swedish Research Council [2022-06725]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoeping University (Faculty Grant SFO-Mat-LiU) [2009-00971]; German Research Foundation (DFG); European Union [847471]; DFG Excellence Cluster e-conversion; Munich Quantum Center
520 a On-surface reactions of terminal alkynes in ultrahigh vacuum have attracted widespread attention due to their high technological promise. However, employing different precursors and substrate materials often intricate reaction schemes appear far from being well-understood. Thus, recent investigations of alkyne coupling on noble metal surfaces suggest non-dehydrogenative scenarios, contradicting earlier reports. Herein, the study employs noncontact atomic force microscopy (nc-AFM) with high spatial resolution to conclusively characterize exemplary alkyne coupling products. Contrary to initial interpretations proposing dehydrogenative homocoupling on Ag(111), bond-resolved AFM imaging reveals the expression of enyne motifs. Based on complementary, extensive density functional theory calculations, the pertaining reaction mechanisms are explored. It is proposed that enyne formation initiates with a direct carbon-carbon coupling between two alkyne groups, followed by surface-assisted dehydrogenation-hydrogenation processes. Thereby consecutive steps of atomic hydrogen cleavage, surface migration and recombination to a different carbon atom enable bridging via carbon-carbon double bonding. The new results shed light on subtle, but crucial surface-mediated hydrogen transfer processes involved in the chemical bond formation, which are suggested to be of general relevance in on-surface synthesis. Terminal alkyne coupling on Ag(111) in ultrahigh vacuum is conclusively examined by bond-resolved atomic force microscopy and density functional theory modeling. The prevailing bonding motif is the enyne moiety, originating from a distinct surface-mediated dehydrogenation-hydrogenation reaction pathway. The findings highlight the important role of hydrogen transfer in the course of on-surface synthesis procedures. image
650 7a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe
650 7a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng
653 a density functional theory; graphdiyne; non-contact atomic force microscopy; on-surface synthesis; terminal alkyne
7001 a Gao, Fengu Chinese Acad Sci, Peoples R China; Univ Chinese Acad Sci, Peoples R China4 aut
7001 a Cheng, Pengu Chinese Acad Sci, Peoples R China; Univ Chinese Acad Sci, Peoples R China4 aut
7001 a Chen, Lanu Chinese Acad Sci, Peoples R China; Univ Chinese Acad Sci, Peoples R China; Songshan Lake Mat Lab, Peoples R China4 aut
7001 a Klyatskaya, Svetlanau Karlsruhe Inst Technol KIT, Germany4 aut
7001 a Ruben, Mariou Karlsruhe Inst Technol KIT, Germany; Univ Strasbourg, France4 aut
7001 a Rosén, Johannau Linköpings universitet,Materialdesign,Tekniska fakulteten4 aut0 (Swepub:liu)johro07
7001 a Barth, Johannes V.u Tech Univ Munich, Germany4 aut
7001 a Björk, Jonasu Linköpings universitet,Materialdesign,Tekniska fakulteten4 aut0 (Swepub:liu)jonbj66
7001 a Wu, Kehuiu Chinese Acad Sci, Peoples R China; Univ Chinese Acad Sci, Peoples R China; Songshan Lake Mat Lab, Peoples R China4 aut
7001 a Zhang, Yi-Qiu Chinese Acad Sci, Peoples R China4 aut
7102 a Chinese Acad Sci, Peoples R China; Univ Chinese Acad Sci, Peoples R Chinab Chinese Acad Sci, Peoples R China; Univ Chinese Acad Sci, Peoples R China; Songshan Lake Mat Lab, Peoples R China4 org
7730 t Advanced Materials Interfacesd : WILEYx 2196-7350
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-202913
8564 8u https://doi.org/10.1002/admi.202400222

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