Semi-empirical calculations on the structure of the uronium ion

Sybolt Harkema

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Abstract

Semi-empirical calculations (CNDO/2) on the structure of the uronium ion are presented. Assuming a planar ion with fixed bond lengths, the bond angles involving the heavy atoms can be calculated with fair accuracy. Changes in bond length and angles, which occur upon protonation of the urea molecule, can be explained by the calculations.
Original languageUndefined
Pages (from-to)465-470
JournalJournal of molecular structure
Volume12
Issue number3
DOIs
Publication statusPublished - 1972

Keywords

  • IR-68039

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