An ESR study on Jahn-Teller effect in corannulene monoanion
Citation
T. Sato et al., An ESR study on Jahn-Teller effect in corannulene monoanion, CHEM P LETT, 326(5-6), 2000, pp. 573-579
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
SICI code
0009-2614(20000825)326:5-6<573:AESOJE>2.0.ZU;2-V
Abstract
Solution ESR spectra of alkali-metal-doped corannulene monoanion, C20H10- h
ave been observed from RT to 183 K. Eleven peaks have been observed from RT
to 273 K. As the decrease of temperature, the 11 signals due to ten equiva
lent protons split into complicated ones. This behavior has been interprete
d in terms of pseudorotation about the C-5v. Jahn-Teller crossing. The pote
ntial barriers between five equivalent C-s wells originating from the fifth
-order anharmonic term have been estimated to be ca. 2.2 x 10(-3) eV. (C) 2
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