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Recent advances in endohedral metallofullerenes [PDF]
Fundamental ResearchFullerenes are a collection of closed polycyclic polymers consisting exclusively of carbon atoms. Recent remarkable advancements in the fabrication of metal-fullerene nanocatalysts and polymeric fullerene layers have significantly expanded the potential ...
Wenting Cai +3 more
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Infrared Spectral Fingerprint of Neutral and Charged Endo- and Exohedral Metallofullerenes [PDF]
The Astrophysical Journal Supplement Series, 2023 Small metal-containing molecules have been detected and recognized as one of the hybrid species that are efficiently formed in space, especially in the circumstellar envelopes of evolved stars.
R. Barzaga +7 more
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On the Presence of Metallofullerenes in Fullerene-rich Circumstellar Envelopes [PDF]
The Astrophysical Journal, 2022 The presence of neutral C _60 fullerenes in circumstellar environments has been firmly established by astronomical observations as well as laboratory experiments and quantum-chemistry calculations. However, the large variations observed in the C _60 17.4
R. Barzaga +5 more
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New Horizons in Chemical Functionalization of Endohedral Metallofullerenes
Molecules, 2020 This overview explains some new aspects of chemical functionalization of endohedral metallofullerenes (EMFs) that have been unveiled in recent years.
Michio Yamada +3 more
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Metalloborospherene Analogs to Metallofullerene
InorganicsBoron, the neighbor element to carbon in the periodic table, is characterized by unique electron deficiency that fosters multicenter delocalized bonding, contributing to its diverse chemistry.
Jordan Burkhardt +2 more
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A DFT Request for the Band Gap, NBO Analysis, and Global Reactivity of the Doped Metallofullerenes and their Complexes with H2 Molecules [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2023 In this theoretical report, we are focused on the substituent effects of titanium dopants on the band gap, NBO, and global reactivity of C20-nTin metallofullerenes (n = 1 - 5), at DFT. The C18Ti2-2 metallofullerene is found as the most stable analog with
Mustafa Kadhim +6 more
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International Journal of Electrochemical Science, 2016 We isolated and purified three disamarium metallofullerenes of known structure, Sm2@D2(35)-C88, Sm2@C1(21)-C92 and Sm2@D3d(822)-C104, by the reported method.
Jie Chen +4 more
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Isolation and structure determination of missing fullerenes Gd@C74(CF3)n through in situ trifluoromethylation [PDF]
Royal Society Open Science, 2018 Our trifluoromethyl functionalization method enables the dissolution and isolation of missing metallofullerenes of Gd@C74(CF3)n. After multi-stage high-performance liquid chromatography purification, Gd@C74(CF3)3 and two regioisomers of Gd@C74(CF3) are ...
Ayano Nakagawa +7 more
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Quantum Chemical Modelling of the Scandium Sub-Group Metal Endofullerenes
Конденсированные среды и межфазные границы, 2020 Endofullerenes with one or several metal atoms inside the carbon cage (metallofullerenes) are of considerable practical interest as promising basic materials for creating highly effective contrasting agents for magnetic resonance imaging (MRI) as well as
Dmitrii A. Machnev +3 more
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Pr@C82 Metallofullerene: Calculated Isomeric Populations
Inorganics, 2023 Relative equilibrium populations of the five lowest-energy isolated-pentagon-rule (IPR) isomeric structures of Pr@C82 under high-temperature fullerene synthesis conditions were calculated with the Gibbs energy terms based on molecular characteristics ...
Zdeněk Slanina +4 more
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