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000459533 245__ $$aConformer-specific polar cycloaddition of dibromobutadiene with trapped propene ions
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000459533 520__ $$aThere has been a long-standing discussion in the literature whether Diels-Alder cy- cloadditions and their ionic variants, polar cycloadditions, proceed via stepwise or con- certed reaction mechanisms. Here, we adopt a new experimental approach to explore the mechanistic details of these reactions by probing its conformational specificities in the entrance channel using conformationally controlled molecular beams combined with ion-trapping techniques. For the model polar cycloaddition of 2,3-dibromo-1,3-butadiene with propene ions, we found that two conformers of the diene, gauche and s-trans, are reactive with capture-limited reaction rates. Aided by theoretical calculations, this find- ing is rationalised by a simultaneous competition of both concerted and stepwise reaction pathways thus revealing an interesting mechanistic borderline case. The present study illustrates the utility of experiments with controlled molecules under single-collision conditions in the gas phase for unravelling mechanistic details of reactions relevant for synthetic chemistry.
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000459533 7001_ $$0P:(DE-H253)PIP1084960$$aWang, Jia$$b1
000459533 7001_ $$0P:(DE-HGF)0$$aStranak, Patrik$$b2
000459533 7001_ $$0P:(DE-HGF)0$$aSchwilk, Max$$b3
000459533 7001_ $$0P:(DE-HGF)0$$aRivero, Uxía$$b4
000459533 7001_ $$0P:(DE-HGF)0$$aXu, Lei$$b5
000459533 7001_ $$0P:(DE-HGF)0$$aAnatole von Lilienfeld, O.$$b6
000459533 7001_ $$0P:(DE-H253)PIP1012175$$aKüpper, Jochen$$b7$$eCorresponding author
000459533 7001_ $$0P:(DE-HGF)0$$aWillitsch, Stefan$$b8$$eCorresponding author
000459533 773__ $$0PERI:(DE-600)2553671-0$$a10.1038/s41467-021-26309-5$$gVol. 12, no. 1, p. 6047$$n1$$p6047$$tNature Communications$$v12$$x2041-1723$$y2021
000459533 7870_ $$0PUBDB-2024-01849$$aKilaj, Ardita et.al.$$d2021$$iIsParent$$rarXiv:2107.13858$$tConformer-specific polar cycloaddition of dibromobutadiene with trapped propene ions
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