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Inne
Electron transfer modifies chemical properties of C70 fullerene surface: an ab initio molecular dynamics study of C70O3 molozonides doped with light atoms.
Autorzy
Rok wydania
2014
Czasopismo
Numer woluminu
605-606
Strony
93-97
DOI
10.1016/j.cplett.2014.05.025
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
Light metal atoms such as Li, K (electronic state 2S1/2) or Ca (1S0) encapsulated in a C70 cage considerably modifies the chemical properties of the fullerene surface due to metal-to-cage electron transfer. H-doped and anion ozonide systems were also considered to validate the electron transfer hypothesis. The relative stabilities of the eight isomers of the C70O3 molozonide series at room temperature depend on the identity of the endohedral guest, as was the preferred channel for thermal decomposition. No electron transfer was observed for the complex N@C70 where the fullerene acts as an inert container for the 4S3/2 radical.
Adres publiczny
http://dx.doi.org/dx.doi.org/10.1016/j.cplett.2014.05.025
Strona internetowa wydawcy
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