| Journal: | Ecletica quimica |
| Database: | PERIÓDICA |
| System number: | 000366668 |
| ISSN: | 0100-4670 |
| Authors: | Ibrahim, Medhat1 ElHaes, Hanan2 Hameed, Ali Jameel3 Essa, Ali Hashem3 |
| Institutions: | 1National Research Centre, Spectroscopy Department, Dokki, Cairo. Egipto 2Ain Shams University, Faculty of Women for Arts, Science, and Education, El Cairo. Egipto 3University of Basrah, College of Science, Basrah. Irak |
| Year: | 2008 |
| Season: | Ene-Mar |
| Volumen: | 33 |
| Number: | 1 |
| Pages: | 21-28 |
| Country: | Brasil |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Experimental, aplicado |
| English abstract | Semiempirical calculations at the level of PM3 of theory were carried out to study the structural and electronic properties of C80 and some of its doped derivatives with the elements of group III and V at the level of PM3 of theory. We have selected these elements to be substituted in the fullerene-C80 cage in order to show the effect of such structural change on the electronic properties of the molecules studied. The theoretical IR spectra, some of physical and chemical properties of the molecules studied are obtained and discussed |
| Disciplines: | Química |
| Keyword: | Química orgánica, Hetrofulereno, Espectro vibracional, Dopaje |
| Keyword: | Chemistry, Organic chemistry, Hetrofullerene, Vibrational spectrum, Doping |
| Full text: | Texto completo (Ver HTML) |
