Electronic and vibrational structures of countercation of tetrakis(dimethylamino)ethylene (TDAE)-C{sub 60}. Neutral and cationic states of TDAE
Journal Article
·
· Journal of Physical Chemistry
- Kyoto Univ. (Japan)
The electronic and the vibrational structures of TDAE{sup n+} (n=0-2), where TDAE is tetrakis(dimethylamino)ethylene, have been first studied by the ab initio molecular orbital (MO) method with the 3-21G basis set. This TDAE molecule is of interest since it forms a ferromagnetic salt TDAE-C{sub 60} but its electronic structure has never been reported. Comparison of the present vibrational analysis with the Raman spectral observation has confirmed that there is only the TDAE{sup +} species in the solid phase of TDAE-C{sub 60} and TDAE-C{sub 70}. 19 refs., 3 figs., 3 tabs.
- OSTI ID:
- 226757
- Journal Information:
- Journal of Physical Chemistry, Vol. 100, Issue 10; Other Information: PBD: 7 Mar 1996
- Country of Publication:
- United States
- Language:
- English
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