Electronic and vibrational spectra of fullerenes in contact with oxygen
Electronic and vibrational spectra of fullerenes in contact with oxygen
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DOI：
10.1023/a:1013959205341
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发表时间：
2001-10-01
影响因子：
0.9
通讯作者：
Gavronskaya, YY
中科院分区：
文献类型：
--
作者：
Kopylov, VB;Gavronskaya, YY
分析了富勒烯C-60、C-70和C-78的高分辨电子光谱和振动光谱。富勒烯C-60的吸收光谱在200-280 nm范围内包含一系列七个分辨良好的谱带，其中最强的谱带在240 nm处，以及在280和330 nm处的两个较低强度的加宽谱带。前七个频带被分配到振动激发的π-π * 跃迁的共轭π键的分子系统中，和后两个，富勒烯-氧接触复合物中的分子间相互作用。随着富勒烯分子量的增加，短波吸收带发生蓝移，这是非交替芳族体系的特征。的IR光谱提供了证据与氧的接触电荷转移复合物的形成，通过显示发射和吸收的三重态，单重态，自由基离子和离子态的分子氧的基频的区域。
The high-resolution electronic and vibrational spectra of fullerenes C-60, C-70, and C-78 were analyzed. The absorption spectrum of fullerene C-60 contains a series of seven well-resolved bands in the range 200-280 nm, the strongest of them being at 240 nm, as well as two broadened bands of lower intensity at 280 and 330 nm. The former seven bands were assigned to vibrationally excited pi-pi* transitions in the molecular system of conjugated pi bonds, and the latter two, to intermolecular interactions in a fullerene-oxygen contact complex. As the molecular weight of the fullerene increases, the short-wave absorption band suffers a hypsochromic shift, which is characteristic of nonalternant aromatic systems. The IR spectra provide evidence for the formation of a contact charge-transfer complex with oxygen by displaying emission and absorption in the region of fundamental frequencies of the triplet, singlet, radical-ion, and ionic states of molecular oxygen.