Concerted elimination of Br2+ resulting from the Coulomb explosion of 1,2-dibromoethane in an intense femtosecond laser field

Concerted elimination pathway leading to Br2+ and C2H4+ results from the two-body Coulomb explosion of from 1,2-dibromoethane molecule in 800 nm femtosecond laser field via a TS structure. In the TS structure, the dihedral angle Φ(BrCCBr) decreased to 72°, both C-Br bonds are elongated to 1.94 Å, and thus the distance between two Br atoms is shortened to 3.50 Å. After surpassing the energy barrier (TS), the doubly charged precursor dissociates into Br2+ and C2H4+ through CE process. The Br2+ elimination is a synchronous concerted reaction.82