Superdiatomics and picosprings:: Cage-cage vibrations in C120O, C120O2, and in three isomers of C130O

被引：29

作者：

Eisler, HJ ^{[1
]}

Hennrich, FH ^{[1
]}

Werner, E ^{[1
]}

Hertwig, A ^{[1
]}

Stoermer, C ^{[1
]}

Kappes, MM ^{[1
]}

机构：

[1] Univ Karlsruhe, Inst Phys Chem, D-76128 Karlsruhe, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 1998年 / 102卷 / 22期

关键词：

D O I：

10.1021/jp980834s

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 spectroscopy. Measurements, which in the case of C120O and C120O2 commenced at Stokes shifts greater than 15 cm(-1), were interpreted in terms of semiempirical calculations (PM3) both of ground-state energetics as well as of vibrational frequencies. Good agreement between(harmonic) vibrational frequency predictions and Raman spectra was obtained. A comprehensive discussion of low-frequency cage-cage vibrations in fullerene dimers and related compounds is attempted on this basis.

引用

页码：3889 / 3897

页数：9

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