SUPERDIATOMICS AND PICOSPRINGS - CAGE-CAGE VIBRATIONS IN C120O, C120O2, AND IN 3 ISOMERS OF C130O

Authors
EISLER HJ HENNRICH FH WERNER E HERTWIG A STOERMER C KAPPES MM
Citation
Hj. Eisler et al., SUPERDIATOMICS AND PICOSPRINGS - CAGE-CAGE VIBRATIONS IN C120O, C120O2, AND IN 3 ISOMERS OF C130O, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(22), 1998, pp. 3889-3897
Citations number
37
Categorie Soggetti
Chemistry Physical
Journal title
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory → ACNP
ISSN journal
10895639
Volume
102
Issue
22
Year of publication
1998
Pages
3889 - 3897
Database
ISI
SICI code
1089-5639(1998)102:22<3889:SAP-CV>2.0.ZU;2-G
Abstract
The title compounds comprising furanoid-(C120O, C130O) Or bisfuranoid- linked (C120O2) fullerene cages were prepared from C60O and C-60/C-70 For C130O, three isomers were isolated. Following HPLC separation all substances were characterized as (microcrystalline) solids by Raman sp ectroscopy. Measurements, which in the case of C120O and C120O2 commen ced at Stokes shifts greater than 15 cm(-1), were interpreted in terms of semiempirical calculations (PM3) both of ground-state energetics a s well as of vibrational frequencies. Good agreement between(harmonic) vibrational frequency predictions and Raman spectra was obtained. A c omprehensive discussion of low-frequency cage-cage vibrations in fulle rene dimers and related compounds is attempted on this basis.