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| Home > Publications database > Conformer-specific polar cycloaddition of dibromobutadiene with trapped propene ions > print |
| 001 | 607360 | ||
| 005 | 20240526052421.0 | ||
| 024 | 7 | _ | |a arXiv:2107.13858 |2 arXiv |
| 024 | 7 | _ | |a 10.3204/PUBDB-2024-01849 |2 datacite_doi |
| 037 | _ | _ | |a PUBDB-2024-01849 |
| 041 | _ | _ | |a English |
| 082 | _ | _ | |a 500 |
| 088 | _ | _ | |a arXiv:2107.13858 |2 arXiv |
| 100 | 1 | _ | |a Kilaj, Ardita |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a Conformer-specific polar cycloaddition of dibromobutadiene with trapped propene ions |
| 260 | _ | _ | |c 2021 |
| 336 | 7 | _ | |a Preprint |b preprint |m preprint |0 PUB:(DE-HGF)25 |s 1716466499_516569 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a WORKING_PAPER |2 ORCID |
| 336 | 7 | _ | |a Electronic Article |0 28 |2 EndNote |
| 336 | 7 | _ | |a preprint |2 DRIVER |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a Output Types/Working Paper |2 DataCite |
| 520 | _ | _ | |a Diels-Alder cycloadditions are efficient routes for the synthesis of cyclic organic compounds. There has been a long-standing discussion whether these reactions proceed via stepwise or concerted mechanisms. Here, we adopt a new experimental approach to explore the mechanistic details of the model polar cycloaddition of 2,3-dibromo-1,3-butadiene with propene ions by probing its conformational specificities in the entrance channel under single-collision conditions in the gas phase. Combining a conformationally controlled molecular beam with trapped ions, we find that both conformers of the diene, gauche and s-trans, are reactive with capture-limited reaction rates. Aided by quantum-chemical and quantum-capture calculations, this finding is rationalised by a simultaneous competition of concerted and stepwise reaction pathways, revealing an interesting mechanistic borderline case. |
| 536 | _ | _ | |a 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) |0 G:(DE-HGF)POF4-631 |c POF4-631 |f POF IV |x 0 |
| 536 | _ | _ | |a DFG project 390715994 - EXC 2056: CUI: Advanced Imaging of Matter (390715994) |0 G:(GEPRIS)390715994 |c 390715994 |x 1 |
| 536 | _ | _ | |a Ex-Net-0002-Phase2-3 - Advanced Imaging of Matter: Structure, Dynamics and Control on the Atomic Scale - AIM (2018_Ex-Net-0002-Phase2-3) |0 G:(DE-HGF)2018_Ex-Net-0002-Phase2-3 |c 2018_Ex-Net-0002-Phase2-3 |x 2 |
| 588 | _ | _ | |a Dataset connected to arXivarXiv, CrossRef, Journals: bib-pubdb1.desy.de |
| 693 | _ | _ | |0 EXP:(DE-H253)CFEL-Exp-20150101 |5 EXP:(DE-H253)CFEL-Exp-20150101 |e Experiments at CFEL |x 0 |
| 700 | 1 | _ | |a Wang, Jia |0 P:(DE-H253)PIP1084960 |b 1 |u desy |
| 700 | 1 | _ | |a Straňák, Patrik |0 P:(DE-HGF)0 |b 2 |
| 700 | 1 | _ | |a Schwilk, Max |0 P:(DE-HGF)0 |b 3 |
| 700 | 1 | _ | |a Rivero, Uxía |0 P:(DE-HGF)0 |b 4 |
| 700 | 1 | _ | |a Xu, Lei |0 P:(DE-HGF)0 |b 5 |
| 700 | 1 | _ | |a von Lilienfeld, O. Anatole |0 P:(DE-HGF)0 |b 6 |
| 700 | 1 | _ | |a Küpper, Jochen |0 P:(DE-H253)PIP1012175 |b 7 |e Corresponding author |
| 700 | 1 | _ | |a Willitsch, Stefan |0 0000-0002-8376-0579 |b 8 |e Corresponding author |
| 856 | 4 | _ | |y OpenAccess |u https://bib-pubdb1.desy.de/record/607360/files/2107.13858v1.pdf |
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| 980 | _ | _ | |a preprint |
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