On the Spectroscopic Analyses of Fulleropyrrolidine-1-Carbodithioic Acid 2; 3 and 4-Substituted-Benzyl Esters
Elhaes, Hanan; Saleh, Noha; Mahmoud, Abdel Aziz; Osman, Osama; Omar, Amina; Ibrahim, Medhat;
Abstract
PM3 semiemprical method was used to study the vibrational characteristics of the Fulleropyrrolidine-1-carbodithioic acid 2; 3 and 4-substituted-benzyl esters. The substituents include OH, Cl, F, CN, CH3, OCH3, COCH3, CO2CH3, NH2, NHCH3, NO2 for ortho, meta and para positions respectively relative to the methylene group. The geometry of each structure is optimized then the vibrational spectra are calculated. The electronic property mainly energy has changed which in turn shifted the characteristic bands of C60. This may also changes the symmetry of C60.
Other data
| Title | On the Spectroscopic Analyses of Fulleropyrrolidine-1-Carbodithioic Acid 2; 3 and 4-Substituted-Benzyl Esters | Authors | Elhaes, Hanan; Saleh, Noha; Mahmoud, Abdel Aziz; Osman, Osama; Omar, Amina ; Ibrahim, Medhat | Issue Date | Dec-2015 | Publisher | American Scientific Publishers | Journal | Quantum Matter | Volume | 4 | Issue | 6 | Start page | 594 | End page | 598 | ISSN | 21647615 21647623 |
DOI | 10.1166/qm.2015.1236 |
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