OREGON STATE UNIVERSITY
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| 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 |