Citation
Pr. Surjan et al., ZERO-FIELD-SPLITTING IN THE LOWEST TRIPLET-STATE OF C-60, Chemical physics letters, 251(1-2), 1996, pp. 115-118
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
251
Issue
1-2
Year of publication
1996
Pages
115 - 118
Database
ISI
SICI code
0009-2614(1996)251:1-2<115:ZITLTO>2.0.ZU;2-4
Abstract
Zero-held-splitting parameters D and E for the fullerene C-60 in its J
ahn-Teller distorted triplet state were calculated and compared to rec
ent experimental results. The E value vanishes due to symmetry, while
we obtained a non-zero D value of D = 0.009 cm(-1) in the D-5d distort
ed lowest tripler state. The absolute value of D is in good agreement
with experimental data, which suggests that the sign of D is negative.