Abstract
The existence of hexacoordinate hypervalent carbon compounds is discovered theoretically. Kohn-Sham orbitals related to three-center four-electron bonds are obtained for a compound, in which two 2,6-bis(p-methylphenyloxymethyl)phenyl groups are bonded to a carbon atom. Estimated bond energies confirm the existence of the hypervalent bond between carbon and oxygen atoms.
| Original language | English |
|---|---|
| Pages (from-to) | 37-41 |
| Number of pages | 5 |
| Journal | Chemical Physics Letters |
| Volume | 460 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - 2008 Jul 20 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
Fingerprint Dive into the research topics of 'Discovery of hexacoordinate hypervalent carbon compounds: Density functional study'. Together they form a unique fingerprint.
Cite this
Kikuchi, Y., Ishii, M., Akiba, K. Y., & Nakai, H. (2008). Discovery of hexacoordinate hypervalent carbon compounds: Density functional study. Chemical Physics Letters, 460(1-3), 37-41. https://doi.org/10.1016/j.cplett.2008.05.079