TY - JOUR
T1 - Synthetic and structural considerations on highly curved bowl-shaped fragments of fullerenes
AU - Wu, Yao Ting
AU - Wu, Tsun Cheng
AU - Chen, Min Kuan
AU - Hsin, Hsin Ju
PY - 2014/4/17
Y1 - 2014/4/17
N2 - Numerous highly curved fragments of C60 and unique subunits of C70 were synthesized under mild conditions using metal-catalyzed protocols. According to X-ray crystallographic analyses, highly curved fragments of C60 have a maximum π-orbital axis vector (POAV) pyramidalization angle of up to 12.9°, whereas distinctive fragments of C70, analogous to the tube portion of the rugby-shaped buckyball, are less curved. Among the eight buckybowls studied herein, five form polar crystals. Depending on the molecular geometry, the inversion dynamics of buckybowls involves either a planar or an S-shaped (non-planar) transition structure.
AB - Numerous highly curved fragments of C60 and unique subunits of C70 were synthesized under mild conditions using metal-catalyzed protocols. According to X-ray crystallographic analyses, highly curved fragments of C60 have a maximum π-orbital axis vector (POAV) pyramidalization angle of up to 12.9°, whereas distinctive fragments of C70, analogous to the tube portion of the rugby-shaped buckyball, are less curved. Among the eight buckybowls studied herein, five form polar crystals. Depending on the molecular geometry, the inversion dynamics of buckybowls involves either a planar or an S-shaped (non-planar) transition structure.
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U2 - 10.1515/pac-2013-1215
DO - 10.1515/pac-2013-1215
M3 - Article
AN - SCOPUS:84899826870
VL - 86
SP - 539
EP - 544
JO - Pure and Applied Chemistry
JF - Pure and Applied Chemistry
SN - 0033-4545
IS - 4
ER -