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8341211 
Journal Article 
Electronic absorption spectra of C60 and C70 and their interpretation using ZINDO/S 
Sonia; Khan, MS; Khan, ZH 
2005 
Yes 
Canadian Journal of Analytical Sciences and Spectroscopy
ISSN: 1205-6685 
50 
1 
1-6 
English 
Electronic absorption spectra of Buckminsterfullerene C60 and fullerene C70 were investigated in the n-hexane solvent. Using three-dimensional structure of the molecules, molecular geometries were optimized with the semi-empirical ZINDO/1 method. ZINDO/S (CI) calculations were carried out using completely optimized geometry to compute electronic transition energies and intensities of spectral lines. On the basis of these calculations, the assignment of all the observed electronic bands of C 60 and C70 were successfully made. 
Buckminsterfullerene C 60; Electronic spectra; Fullerene C70; ZINDO/S calculations