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J Am Soc Mass Spectrom ; 12(2): 144-9, 2001 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-11211999

RESUMO

Gas-phase clustering reactions of halide ions (X- = F-, Cl-, Br-, and I-) with ethylene (C2H4) and propylene (C3H6) were studied with a pulsed electron beam mass spectrometer. Bonding energies of all cluster ions were found to be less than 10 kcal/mol, i.e., no anion-initiated polymerization of C2H4 and C3H6 took place. For the cluster F-(C2H4)n, a small gap in the binding energy is observed between n = 4 and 5 suggesting that the first shell is completed with n = 4. For larger halide ions, the bond energies for the clusters X-(C2H4)n were found to be nearly n independent. For Cl-(C3H6)n a steep decrease in binding energies was observed between n = 2 and 3 and n = 3 and 4. The structure of the cluster ions was investigated by ab initio calculations. X-(C2H4)n complexes were calculated to have hydrogen-bond geometries regardless of the identity of the halide ions, and bidentate (chelate) type geometries of X-(C3H6)1 were found.

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