Chemistry, Ames Laboratory
Journal or Book Title
Ab initio geometry optimizations for a series of azatitanatranes, ZTi[−NR(CH2)2−]3N, (Z = CH3, NH2, OH, F, and N(CH3)2; R = H and CH3), have been performed. An analysis of the transannular Ti−N interaction indicates that it is significantly stronger than that found in the analogous azasilatranes. Of special significance in this calculation is the fact that theory correctly predicts that the axial Ti−N bond is shorter than the equatorial Ti−N bonds.
American Chemical Society
Rioux, Frank Joseph III; Schmidt, Michael; and Gordon, Mark S., "Molecular Structures for Azatitanatranes" (1997). Chemistry Publications. 322.