TY  - JOUR
A1  - Xiong, Hui
A1  - Mignolet, Benoit
A1  - Fang, Li
A1  - Osipov, Timur
A1  - Wolf, Thomas J. A.
A1  - Sistrunk, Emily
A1  - Gühr, Markus
A1  - Remacle, Francoise
A1  - Berrah, Nora
T1  - The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field
JF  - Scientific reports
N2  - The interaction of gas phase endohedral fullerene Ho3N@C-80 with intense (0.1-5 x 10(14) W/cm(2)), short (30 fs), 800 nm laser pulses was investigated. The power law dependence of Ho3N@C-80(q+), q = 1-2, was found to be different from that of C-60. Time-dependent density functional theory computations revealed different light-induced ionization mechanisms. Unlike in C-60, in doped fullerenes, the breaking of the cage spherical symmetry makes super atomic molecular orbital (SAMO) states optically active. Theoretical calculations suggest that the fast ionization of the SAMO states in Ho3N@C-80 is responsible for the n = 3 power law for singly charged parent molecules at intensities lower than 1.2 x 10(14) W/cm(2).
Y1  - 2017
U6  - https://doi.org/10.1038/s41598-017-00124-9
SN  - 2045-2322
VL  - 7
PB  - Nature Publ. Group
CY  - London
ER  -