Chemistry Reference
In-Depth Information
Fig. 4.19 Potential energy
curve of the bridging bromide
ion in the (a) CDW and (b)
MH states
of 5.26 ˚
respectively. This result suggests that a
is the boundary
between CDW and MH states.
If the Pd-Br bond is ionic, the potential energy of the bromide ion is given by the
Born-Mayer equation. In the Pd(IV)
Pd(II) mixed valence system, this
energy forms double minimum potential, which is the sum of the potential curves
for Pd(IV)
Pd(II) (red curve) and Pd(II)
Pd(IV) (blue curve), as
shown in Fig. 4.19 . When
becomes shorter, the equivalent position of
the bromide ions becomes closer to each other, and finally, the double minimum
potential becomes a single minimum potential at the midpoint between two neigh-
boring Pd ions, as shown in Fig. 4.19b . In this situation, all of the Pd ions should be
equivalent, and the Pd(III) MH state should be stabilized. In the present system, we
concluded that the boundary distance between double minimum and single mini-
mum potentials was ca. 5.26 ˚ .
1. Takaishi S, Takamura M, Kajiwara T, Miyasaka H, Yamashita M, Iwata M, Matsuzaki H,
Okamoto H, Tanaka H, Kuroda S, Nishikawa H, Oshio H, Kato K, Takata M (2008) J Am
Chem Soc 130:12080-12084
2. Hazell A (1991) Acta Cryst C 47:962
3. Yamashita M, Ishii T, Matsuzaka H, Manabe T, Kawashima T, Okamoto H, Kitagawa H,
Mitani T, Marumoto K, Kuroda S (1999) Inorg Chem 38:5124-5130
4. Okamoto H, Mitani T, Toriumi K, Yamashita M (1992) Mater Sci Eng B 13:L9
5. Okamoto H, Mitani T (1993) Prog Theor Phys 113:191
6. Manabe T, Yamashita M, Kawashima T, Okamoto H, Kitagawa H, Mitani T, Toriumi K,
Miyamae H, Inoue K, Yakushi K (1997) Proc SPIE 3145: 106-115
7. Manabe T, Kawashima T, Yamashita M, Okamoto H, Kitagawa H, Mitani T, Inokuchi M,
Yakushi K (1997) Synth Met 86:2233
8. Matsuzaki H, Iwano K, Aizawa T, Ono M, Kishida H, Yamashita M, Okamoto H (2004) Phys
Rev B 70:035204
9. Marumoto K, Tanaka H, Kuroda S, Manabe T, Yamashita M (1999) Phys Rev B 60:7699
Search WWH ::

Custom Search