Ab initio quantum chemical studies of six-center bond exchange reactions among halogen and halogen halide molecules
The possibility of six-center bond exchange reaction among halogen and halogen halide molecules is confirmed using ab initio quantum chemical methods. The following reactions: (Cl2)2 + Br2 → 2 BrCl + Cl2; (Cl2)2 + HI → HCl + ICI + Cl2 and (HI)2 + F2 → HF + HI + IF were studied. The energy barrier fo...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer Verlag
2007
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| Subjects: | |
| Online Access: | View Fulltext in Publisher View in Scopus |