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Expanding the Number of Stable Isomeric Structures of the C 80 Cage: A New Fullerene Dy 3 N@C 80
Author(s) -
Yang Shangfeng,
Dunsch Lothar
Publication year - 2005
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200500383
Subject(s) - fullerene , cage , materials science , crystallography , nanotechnology , physics , chemistry , combinatorics , mathematics , quantum mechanics
The production, isolation, and spectroscopic characterization of a new Dy 3 N@C 80 cluster fullerene that exhibits three isomers ( 1 – 3 ) is reported for the first time. In addition, the third isomer ( 3 ) forms a completely new C 80 cage structure that has not been reported in any endohedral fullerenes so far. The isomeric structures of the Dy 3 N@C 80 cluster fullerene were analyzed by studying HPLC retention behavior, laser desorption time‐of‐flight (LD‐TOF) mass spectrometry, and UV‐Vis‐NIR and FTIR spectroscopy. The three isomers of Dy 3 N@C 80 were all large band‐gap (1.51, 1.33, and 1.31 eV for 1 – 3 , respectively) materials, and could be classified as very stable fullerenes. According to results of FTIR spectroscopy, the Dy 3 N@C 80 (I) ( 1 ) was assigned to the fullerene cage C 80 :7 ( I h ), whereas Dy 3 N@C 80 (II) ( 2 ) had the cage structure of C 80 :6 ( D 5 h ). The most probable cage structure of Dy 3 N@C 80 (III) ( 3 ) was proposed to be C 80 :1 ( D 5 d ). The significant differences between Dy 3 N@C 80 and other reported M 3 N@C 80 (M=Sc, Y, Gd, Tb, Ho, Er, Tm) cluster fullerenes are discussed in detail, and the strong influence of the metal on the nitride cluster fullerene formation is concluded.