TY - JOUR
T1 - Insertion of Xe and Kr atoms into C60 and C70 fullerenes and the formation of dimers
AU - Ohtsuki, Tsutomu
AU - Ohno, Kaoru
AU - Shiga, Keiichiro
AU - Kawazoe, Yoshiyuki
AU - Maruyama, Yutaka
AU - Masumoto, Kazuyoshi
PY - 1998/1/1
Y1 - 1998/1/1
N2 - The radioactive endohedral fullerenes 127Xe@C60, 127Xe@C70, 79Kr@C60, and 79Kr@C70, and their dimers, are detected using radiochemical and diochromatographic techniques in the final solution of samples in which Xe or Kr has penetrated into C60 or C70 by a nuclear reaction recoil process. Carrying out ab initio molecular dynamics simulations based on an all-electron mixed basis approach, we confirmed that the insertion of Xe and Kr atoms into C60 through six-membered rings is possible in a certain range of the kinetic energy: 130-200 eV for Xe and 80-150 eV for Kr.
AB - The radioactive endohedral fullerenes 127Xe@C60, 127Xe@C70, 79Kr@C60, and 79Kr@C70, and their dimers, are detected using radiochemical and diochromatographic techniques in the final solution of samples in which Xe or Kr has penetrated into C60 or C70 by a nuclear reaction recoil process. Carrying out ab initio molecular dynamics simulations based on an all-electron mixed basis approach, we confirmed that the insertion of Xe and Kr atoms into C60 through six-membered rings is possible in a certain range of the kinetic energy: 130-200 eV for Xe and 80-150 eV for Kr.
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U2 - 10.1103/PhysRevLett.81.967
DO - 10.1103/PhysRevLett.81.967
M3 - Article
AN - SCOPUS:0000224973
SN - 0031-9007
VL - 81
SP - 967
EP - 970
JO - Physical Review Letters
JF - Physical Review Letters
IS - 5
ER -