Two theoretical models, a reorganization model and an activation model, are presented for accurately determining the energy barrier of the type ลฝ . 2qr3q M H O of the transition-metal complexes in the electron-transfer process. Ab initio 2 6 ลฝ . 2qr3q calculations are carried out at UMP2r6-311G leve
โฆ LIBER โฆ
EPR lineshape studies of low-temperature vanadium 3d1 polaron dynamics in the 70V2O5-30P2O5 binary glass
โ Scribed by P. Raghunathan; B.B. Das
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 366 KB
- Volume
- 160
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
In a specimen of 70V,0s-3OP,Or glass, EPR lineshapes of the vanadium 3d' polaron have been studied between 4 and 77 K.
At the lowest temperature the unpaired electron is localized at a single "V site, and values ofg,, = 1.959, g, = 1.989, A, = 156.6 x 1 0m4 cm-' and Al =53.8x 10s4 cm-' have been measured. A Markovian small-step rotational diffusion model consistent with the random structure of the glass network is proposed for the polaron dynamics at the higher temperatures up to 77 K. This motion has a small activation energy barrier of 114 peV.
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