@article{12286,
  author = {P. Schmid and J. Greenberg and Thanh Nguyen and J. Thorpe and K. Catani and O. Krohn and M. Miller and J. Stanton and Heather Lewandowski},
  title = {Isomer-selected ion–molecule reactions of acetylene cations with propyne and allene},
  abstract = {One of the fundamental goals of chemistry is to determine how molecular structure influences interactions and leads to different reaction products. Studies of isomer-selected and resolved chemical reactions can shed light directly on how form leads to function. In the following, we present the results of gas-phase reactions between acetylene cations (C2D2+) with two different isomers of C3H4: propyne (DC3D3) and allene (H2C3H2). Our highly controlled, trapped-ion environment allows for precise determination of reaction products and kinetics. From these results, we can infer details of the underlying reaction dynamics of C2H2+ + C3H4. Through the synergy of experimental results and high-level quantum chemical potential energy surface calculations, we are able to identify distinct reaction mechanisms for the two isomers. We find long-range charge exchange with no complex formation is favored for allene, whereas charge exchange leads to an intermediate reaction complex for propyne and thus, different products. Therefore, this reaction displays a pronounced isomer-selective bi-molecular reactive process.},
  year = {2020},
  journal = {Phys. Chem. Chem. Phys.},
  volume = {22},
  chapter = {20303-20310 },
  pages = {20303-20310},
  month = {2020-09},
  publisher = {"The Royal Society of Chemistry"},
  url = {http://dx.doi.org/10.1039/D0CP03953E},
  doi = {10.1039/D0CP03953E},
}