[摘要]:Single tetracyanoethyelene (TCNE) molecules on Cu(111) are reversibly switched among five states by applying voltage pulses with the up of a scanning tunneling microscope A pronounced Rondo resonance in tunneling spectroscopy indicates that one of the states is magnetic Side bands of the Rondo resonance appear at energies which correspond to inter- and intramolecular vibrational modes Density functional theory suggests that molecular deformation changes the occupancy in TCNE's molecular orbitals, thus producing the magnetic state