Molecular structure of Ti8C12 and related complexes

L Pauling

doi:10.1073/pnas.89.17.8175

Molecular structure of Ti8C12 and related complexes

Proc Natl Acad Sci U S A. 1992 Sep 1;89(17):8175-6. doi: 10.1073/pnas.89.17.8175.

Author

L Pauling¹

Affiliation

¹ Linus Pauling Institute of Science and Medicine, Palo Alto, CA 94306, USA.

Abstract

Application of valence-bond theory leads to the assignment to the molecule Ti8C12 of a cubic structure, point group Ohm3m, with 8 Ti at the cube corners, +/-(x x x, x, x x [symbol, see text]) where x = 1.78 A, and with 12 C in pairs in the cube faces, +/-(0 y z, [symbol, see text], 0, y z [symbol, see text]) where y = 1.78 A and z = 0.71 A. The Ti-C and C-C bonds have bond number 4/3, corresponding to resonance of single and double bonds in 2:1 ratio.