ISSN:
1573-9171
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Conclusions 1. The gas-phase dimerization reactions of ethyleneimine and the reactions of protonated ethylenimine with dimethylamine and diethylamine, which simulate the formation of a branched chain of polyethylenimine, have been investigated by the semiempirical quantum-chemical MINDO/3 method. Two channels have been established for the dimerization reaction, viz., the cis (toward a C-N bond) and the trans (toward the C-C bond) approaches of the nucleophile toward the protonated ring, the activation energy in the trans channel being significantly lower. The results obtained are consistent with the experimental data. 2. The high values obtained for the activation energies of the reactions of protonated ethylenimine with disubstituted amines may be attributed, as the calculations of the proton affinity of dimethyl- and diethylamine show, to the errors of the MINDO/3 method.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00963240
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