Закономірності фрагментації фулерену С60 за даними лазерно-десорбційної мас-спектрометрії та квантової хімії
Experimental and theoretical results concerning the regularities in the fullerene C60 fragmentation are reported. The destruction of C60 thermally deposited onto a silicon substrate is studied with the use of laser-desorption mass spectrometry and provided various values of laser radiation power. Th...
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| Дата: | 2012 |
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| Автори: | , , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Publishing house "Academperiodika"
2012
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| Теми: | |
| Онлайн доступ: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2021235 |
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| Назва журналу: | Ukrainian Journal of Physics |
Репозитарії
Ukrainian Journal of Physics| Резюме: | Experimental and theoretical results concerning the regularities in the fullerene C60 fragmentation are reported. The destruction of C60 thermally deposited onto a silicon substrate is studied with the use of laser-desorption mass spectrometry and provided various values of laser radiation power. The intensity of[C60]+ ions in the mass spectrum is shown to increase linearly, when the laser radiation power grows from 30 to 70% of its maximum. At the same time, the relative degree of C60 fragmentation first increases and then saturates at 50% of the laser power maximum. Two possible mechanisms of fullerene ionization are proposed. The electron structures of molecular, C60–2n, and cationic, [C60–2n]+, fullerene forms, where the parameter n = 0 to 4 indicates the number of lost C2 fragments, are calculated within the quantum chemistry method. The boundary molecular orbitals (EHOMO and ELUMO), adiabatic ionization potentials, and electron affinities are calculated. |
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