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Experimental and Theoretical Studies of the Scandium Carbide Endohedral Metallofullerene Sc 2 C 2 @C 82 and Its Carbene Derivative
Author(s) -
Iiduka Yuko,
Wakahara Takatsugu,
Nakajima Koji,
Nakahodo Tsukasa,
Tsuchiya Takahiro,
Maeda Yutaka,
Akasaka Takeshi,
Yoza Kenji,
Liu Michael T. H.,
Mizorogi Naomi,
Nagase Shigeru
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200701049
Subject(s) - carbene , metallofullerene , scandium , derivative (finance) , chemistry , crystallography , density functional theory , fullerene , computational chemistry , organic chemistry , catalysis , financial economics , economics
It's what's on the inside that counts : The structure of Sc 2 C 2 @C 82 (III), as suggested by 13 C NMR spectroscopy and density functional calculations (see picture, left; C red and gray, Sc blue), contains two Sc and two C atoms inside the C 82 cage. This mode of encapsulation is verified by X‐ray single‐crystal analysis of the cycloadduct of Sc 2 C 2 @C 82 (III) and adamantylidene carbene (see picture, right).