Chemical Reactivity of Sc<sub>3</sub>N@C<sub>80</sub> and La<sub>2</sub>@C<sub>80</sub>
Yuko Iiduka (2113522)Ozora Ikenaga (2533282)Akihiro Sakuraba (2533279)Takatsugu Wakahara (2088067)Takahiro Tsuchiya (2015767)Yutaka Maeda (360088)Tsukasa Nakahodo (1813699)Takeshi Akasaka (1402213)Masahiro Kako (1402207)Naomi Mizorogi (1775047)Shigeru Nagase (1349634)
Abstract
Sc<sub>3</sub>N@C<sub>80</sub> has a lower thermal reactivity than La<sub>2</sub>@C<sub>80</sub>, although Sc<sub>3</sub>N@C<sub>80</sub> has the same carbon cage (<i>I</i><i><sub>h</sub></i>) and oxidation state (C<sub>80</sub><sup>6-</sup>) as La<sub>2</sub>@C<sub>80</sub>. This result is attributed to the difference in the energy level and distribution of LUMO between Sc<sub>3</sub>N@C<sub>80</sub> and La<sub>2</sub>@C<sub>80</sub>.
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