Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 113-bis, 28006, Madrid, Spain.
Atomic and Molecular Collisions Laboratory, CEFITEC, Department of Physics, Universidade NOVA de Lisboa, 2829-516, Caparica, Portugal.
Sci Rep. 2021 Nov 30;11(1):23125. doi: 10.1038/s41598-021-02408-7.
Superoxide anions colliding with benzene molecules at impact energies from 200 to 900 eV are reported for the first time to form massive complexes. With the aid of quantum chemistry calculations, we propose a mechanism in which a sudden double ionization of benzene and the subsequent electrostatic attraction between the dication and the anion form a stable covalently bonded CHO molecule, that evolves towards the formation of benzene-diol conformers. These findings lend support to a model presenting a new high energy anion-driven chemistry as an alternative way to form complex molecules.
首次报道了超氧阴离子与苯分子在 200 到 900 eV 的碰撞能下形成大分子复合物。借助量子化学计算，我们提出了一种机制，其中苯的突然双电离和随后的正离子与负离子之间的静电吸引形成了稳定的共价键合的 CHO 分子，该分子进一步演化形成苯二醇构象异构体。这些发现支持了一种新的高能阴离子驱动化学模型，作为形成复杂分子的另一种途径。
