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Abstract: (Chemical Abstract 2000, 133:79611)
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Theoretical description (MP2/6-311G* and B3LYP/6-311G*) is
presented for
hypovalent titanium alkoxide model compounds showing linear angle Ti-O-C
angles. This feature is explained by the existence of a polarized triple
Ti-O bond. In contrast, a series of 18 electron germanium derivatives
displaying bent angle Ge-O-C angles contain polarized single Ge-O bonds.
The nature of the Ti-O and Ge-O bonds is established by means of natural
bond order (NBO), atoms-in-molecules theory (AIM),
and electron localization function (ELF) analyses.
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