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M.M. Szczȩśniak Z. Latajka H. Ratajczak W.J. Orville-Thomas 《Chemical physics letters》1980,72(1):115-118
The hydrogen-bonded complexes between CH3NH2 and (CH3)2NH with HCl have been studied by the ab initio molecular orbital method using the 4–31G basis set. Calculations show that the proton potential curve has a single minimum near to the nitrogen atom in both complexes. This means that the proton has been transferred from HCl to the amine. ΔE and the dipole moment of the complexes studied are as follows: ?18.2 kcal mol?1, 10.3 D for methylamine ·HCl, and ?21.7 kcal mol?1 11.1 D for the corresponding dimethylamine complex. Other properties of the hydrogen-bonded ion pairs are discussed. 相似文献
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