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Abstract: (Chemical Abstract 2000, 132:108031)
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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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