TY - JOUR
T1 - Semi-empirical calculations on the structure of the uronium ion
AU - Harkema, Sybolt
AU - Feil, D.
PY - 1972
Y1 - 1972
N2 - 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.
AB - 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.
U2 - 10.1016/0022-2860(72)87052-2
DO - 10.1016/0022-2860(72)87052-2
M3 - Article
SN - 0022-2860
VL - 12
SP - 465
EP - 470
JO - Journal of molecular structure
JF - Journal of molecular structure
IS - 3
ER -