Facile Synthesis of an Extensive Family of Sc2O@C2n (n = 35鈥?7) and Chemical Insight into the Smallest Member of Sc2O@C2(7892)鈥揅70

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• 作者：Meirong Zhang ; Yajuan Hao ; Xiaohong Li ; Lai Feng ; Ting Yang ; Yingbo Wan ; Ning Chen ; Zden臎k Slanina ; Filip Uhl铆k ; Hailin Cong
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：December 11, 2014
• 年：2014
• 卷：118
• 期：49
• 页码：28883-28889
• 全文大小：312K
• ISSN：1932-7455

文摘

An extensive family of oxide cluster fullerenes (OCFs) Sc₂O@C_2n (n = 35鈥?7) has been facilely produced for the first time by introducing CO₂ as the oxygen source. Among this family, Sc₂O@C₇₀ was identified as the smallest OCF and therefore isolated and characterized by mass spectrometry, ⁴⁵Sc nuclear magnetic resonance, UV鈥搗is鈥搉ear-infrared absorption spectroscopy, cyclic voltammetry, and density functional theory calculations. The combined experimental and computational studies reveal a non-isolated pentagon rule isomer Sc₂O@C₂(7892)鈥揅₇₀ with reversible oxidative behavior and lower bandgap relative to that of Sc₂S@C₂(7892)鈥揅₇₀, demonstrating a typical example of unexplored OCF and underlining its cluster-dependent electronic properties.