Abdoul-Carime Hassan, Castel Louisa, Rabilloud Franck
Universite de Lyon, Université Lyon 1, Institut de Physique des 2 Infinis, CNRS/IN2P3, UMR5822, F-69100 Villeurbanne, France.
Universite Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, UMR5306, F-69100 Villeurbanne, France.
Molecules. 2024 Dec 23;29(24):6051. doi: 10.3390/molecules29246051.
Epichlorohydrin is used as an intermediate for the synthesis of polymers and, more particularly, epoxy adhesives. The traditional process involves the cleavage of the carbon-chlorine bond in an alkaline solution. Here, we investigate the breakage of this bond induced by low-energy (<10 eV) electrons. We show the production of the chlorine anion via a resonant process at different energies. The experimental observations are completed by quantum chemistry calculations of the involved molecular orbitals in the formation of the precursor temporary anions, and their decay mechanisms are discussed in terms of the complex potential energy curve crossing network. The gained information may potentially contribute to a strategy of synthesis by other means where low-energy electrons are implicated, i.e., cold plasmas or even scanning tunnelling microscope for which the bond breakage can be controlled by the energy of the colliding electrons.
环氧氯丙烷用作聚合物合成的中间体，更具体地说，用于合成环氧胶粘剂。传统工艺涉及在碱性溶液中碳氯键的断裂。在此，我们研究了低能（<10 eV）电子诱导的该键的断裂。我们展示了通过不同能量下的共振过程产生氯阴离子。通过对形成前体临时阴离子过程中涉及的分子轨道进行量子化学计算，完善了实验观察结果，并根据复杂的势能曲线交叉网络讨论了它们的衰变机制。所获得的信息可能有助于通过其他涉及低能电子的方法制定合成策略，即冷等离子体甚至扫描隧道显微镜，对于这些方法，键的断裂可由碰撞电子的能量控制。
