## Abstract

Potential-energy surfaces for tri-halogen systems are calculated using a valence-bond diatomics-in-molecules (DIM) method. The calculations show that the exchange reactions, X_{2} + X → X + X_{2} (X F, Br, I), have potential barriers. The dependence of the energies and the positions of the saddle points on the bending angle is investigated. The transition-state geometries are found to be non-linear for all three systems.

Original language | English |
---|---|

Pages (from-to) | 180-186 |

Number of pages | 7 |

Journal | Chemical Physics Letters |

Volume | 103 |

Issue number | 3 |

DOIs | |

State | Published - 30 Dec 1983 |

## Fingerprint

Dive into the research topics of 'A dim calculation of three-dimensional potential-energy surfaces for X_{3}systems (X F, Br, I)'. Together they form a unique fingerprint.