Title | Molecular structure of Ti8C12 and related complexes. |
Publication Type | Journal Article |
Year of Publication | 1992 |
Authors | Pauling L |
Journal | Proc Natl Acad Sci U S A |
Volume | 89 |
Issue | 17 |
Pagination | 8175-6 |
Date Published | 1992 Sep 01 |
ISSN | 0027-8424 |
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. |
DOI | 10.1073/pnas.89.17.8175 |
Alternate Journal | Proc. Natl. Acad. Sci. U.S.A. |
PubMed ID | 11607323 |
PubMed Central ID | PMC49879 |