Electronic Structure of Nobel Dinuclear Metal Complex Having Quintuple Bonds

Kataoka, So; Watanabe, Yuji; Yamasaki, Arisa; Ishii, Tomohiko; Sakane, Genta

Quintuple Bonds
Multiple bonds are one of the typical topics which can be observed especially in the case of the dinuclear metal complexes.  Various studies have been reported up to now since first example of the Cr-Cr dinuclear complex having the quintuple bonds, or fivefold bonds, were obtained in 2005.  In this study, we investigate the calculated electronic structure of the newest example of the dinuclear Cr-Cr complex having the shortest metal-metal distance, i. e. 1.80 angstrom.  In these couple of years, we have already reported that the electronic structures of the metal complexes having the quintuple bonds which must be required the five independent d-orbitals with no bonding with the ligand molecule.  In addition, we are trying to reveal the mechanism of creation of the quintuple bonds by means of the suitable metal-metal bond distance in the dinuclear complex.
The 5th International Workshop on DV-Xα: The Advances Related Experiments and Theories on Materials Science and X-Ray Spectroscopy(Wednesday 6th - Friday 8th August, 2008, Himeji, Hyogo, Japan)
Electronic Structure of Nobel Dinuclear Metal Complex Having Quintuple Bonds

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

21

1&2

280

284