Determination of intramolecular isotope effects in the Be+(2P3/2) + HD reaction
Year: 2025
Type: article
Abstract: Isotope effects in the Be+(2P3/2) + HD reaction were investigated using an integrated ion trap and high-resolution time-of-flight mass spectrometer at a collision energy of 285 K (Ecoll/kB). The total rate constant was measured to be (1.4 ± 0.1) × 10-9 cm3/s, consistent with predictions from classical capture theory. The branching ratio of BeD+ + H to BeH+ + D was determined for the first time and found to be 3.7 ± 0.6, indicating a significant isotope effect. Comparisons with the pairwise energy model and phase space theory suggest that the reaction does not proceed through a purely abstraction or insertion mechanism. Time-dependent quantum dynamics calculations further underscore the importance of accurately describing short-range interactions to reproduce the observed branching behavior. These results establish a well-characterized benchmark system for studying isotope effects and reaction mechanisms in ion-molecule collisions under quantum-state control.
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0280849
Authors: Yongxu Peng, Ziwei Wang, Yue Xiao, Zongao Song, Xin Wang, Mengyang Li, Zhiqiang Li, Tao Wang, Yurun Xie, Yafu Guan, Bin Zhao, Tiangang Yang
Language: English
Topic: Atomic and Molecular Physics
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $3,500
OpenAlex ID: W4413138606