ISSN:
1573-9171
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The geometric parameters, bond orders, and charge distributions in the molecules of ethyl nitroacetate (I), ethyl chloronitroacetate (II), chloronitroacetamide (III), ethyl chloroacetate (IV), and the anions of ethyl chloronitroacetate (V) and chloronitroacetamide (VI) were calculated by the MNDO method. On the basis of the calculated data and their comparison with the data from x-ray crystallographic analysis (XCA) it was concluded that the nitro group in (II) and (III) is substituted relatively easily, that the order of the C-N bond in (V) and (VI) is close to first, that the charges in the anions alternate, and that there is no conjugation in the C-Cl bond in the .
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00958246
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