New materials based on endohedral fullerenes: Mo"C60 complex
Abstract
In this paper a short introduction of endohedral fullerenes is given. Both, theoretical and experimental investigations of endohedral Mo"C60 are presented. Molybdenum consists of 42 electrons, but in the interaction with C60 cage, only 6 valence electrons are involved. On the other hand, molecule C60 has 360 electrons, but 240 electrons are included in molecular orbitales formation. Theoretical calculation was carried out using HyperChem 4.5 software package. Calculation predict that HOMO-LUMO gap is 8.06 eV. Basic procedure for preparing and producing of this complex is given. Results of this research are discussed. Our further investigation will be carried out with the aim of improving production, extraction, and separation of endohedral fullerenes. We will try to find out new possibilities for application of endohedral complexes.
Keywords:
Production of Endohedral Fullerenes / Molybdenum / Molecule C60 / Encapsulation / Computational ChemistrySource:
Materials Science Forum, 1998, 282-283, 115-122Publisher:
- Trans Tech Publications Ltd
Collections
Institution/Community
Mašinski fakultetTY - JOUR AU - Matija, Lidija AU - Koruga, Đuro PY - 1998 UR - https://machinery.mas.bg.ac.rs/handle/123456789/163 AB - In this paper a short introduction of endohedral fullerenes is given. Both, theoretical and experimental investigations of endohedral Mo"C60 are presented. Molybdenum consists of 42 electrons, but in the interaction with C60 cage, only 6 valence electrons are involved. On the other hand, molecule C60 has 360 electrons, but 240 electrons are included in molecular orbitales formation. Theoretical calculation was carried out using HyperChem 4.5 software package. Calculation predict that HOMO-LUMO gap is 8.06 eV. Basic procedure for preparing and producing of this complex is given. Results of this research are discussed. Our further investigation will be carried out with the aim of improving production, extraction, and separation of endohedral fullerenes. We will try to find out new possibilities for application of endohedral complexes. PB - Trans Tech Publications Ltd T2 - Materials Science Forum T1 - New materials based on endohedral fullerenes: Mo"C60 complex EP - 122 SP - 115 VL - 282-283 UR - https://hdl.handle.net/21.15107/rcub_machinery_163 ER -
@article{ author = "Matija, Lidija and Koruga, Đuro", year = "1998", abstract = "In this paper a short introduction of endohedral fullerenes is given. Both, theoretical and experimental investigations of endohedral Mo"C60 are presented. Molybdenum consists of 42 electrons, but in the interaction with C60 cage, only 6 valence electrons are involved. On the other hand, molecule C60 has 360 electrons, but 240 electrons are included in molecular orbitales formation. Theoretical calculation was carried out using HyperChem 4.5 software package. Calculation predict that HOMO-LUMO gap is 8.06 eV. Basic procedure for preparing and producing of this complex is given. Results of this research are discussed. Our further investigation will be carried out with the aim of improving production, extraction, and separation of endohedral fullerenes. We will try to find out new possibilities for application of endohedral complexes.", publisher = "Trans Tech Publications Ltd", journal = "Materials Science Forum", title = "New materials based on endohedral fullerenes: Mo"C60 complex", pages = "122-115", volume = "282-283", url = "https://hdl.handle.net/21.15107/rcub_machinery_163" }
Matija, L.,& Koruga, Đ.. (1998). New materials based on endohedral fullerenes: Mo"C60 complex. in Materials Science Forum Trans Tech Publications Ltd., 282-283, 115-122. https://hdl.handle.net/21.15107/rcub_machinery_163
Matija L, Koruga Đ. New materials based on endohedral fullerenes: Mo"C60 complex. in Materials Science Forum. 1998;282-283:115-122. https://hdl.handle.net/21.15107/rcub_machinery_163 .
Matija, Lidija, Koruga, Đuro, "New materials based on endohedral fullerenes: Mo"C60 complex" in Materials Science Forum, 282-283 (1998):115-122, https://hdl.handle.net/21.15107/rcub_machinery_163 .