Universidad de Granada
Facultad de Ciencias



Abstract: (Chemical Abstract 2000, 132:108031)


Theoretical description of alkylidene chalcogen difluorides have been performed on their planar (1-3) and bent conformations (4-6). The planar T-shaped conformations were the most stable ones, from the calculations performed (Gaussian-G2 and B3LYP/6-311+G*). The bonding nature on the T-shaped (C2v) structures have been also analyzed by means of the Atoms in Molecules (AIM) theory and electron localization function (ELF) analyses.

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