INFRARED-SPECTRUM OF 2 FULLERENE DERIVATIVES - C60O AND C61H2

被引：31

作者：

CARDINI, G

BINI, R

SALVI, PR

SCHETTINO, V

KLEIN, ML

STRONGIN, RM

BRARD, L

SMITH, AB

机构：

[1] UNIV PENN, DEPT CHEM, PHILADELPHIA, PA 19104 USA

[2] UNIV PENN, RES STRUCT MATTER LAB, PHILADELPHIA, PA 19104 USA

[3] UNIV FLORENCE, DIPARTIMENTO CHIM, SPETTROSCOPIA MOLEC LAB, I-50121 FLORENCE, ITALY

[4] EUROPEAN LAB NONLINEAR SPECT, I-50124 FLORENCE, ITALY

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1994年 / 98卷 / 40期

关键词：

D O I：

10.1021/j100091a006

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 infrared spectra of two fullerene derivatives, C60O and C61H2, have been measured in the 4000-200 cm(-1) frequency range between 10 K and room temperature. Due to symmetry lowering with respect to C-60, the infrared activity favors the assignment of the C-60 Silent modes. The experimental results are compared with vibrational calculations based on semiempirical methods. The frequencies of the epoxide and CH2 bridges have been identified in the spectrum and correlated with calculated values. Both the O and CH2 bridges cause local perturbations of the C-60 cluster and do not significantly change the vibrations of the cage. Temperature effects on the infrared spectra are briefly discussed.

引用

页码：9966 / 9971

页数：6