화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.105, No.17, 4312-4315, 2001
Structure of hyperlithiated Li3O and evidence for electronomers
The structure of a hyperlithiated molecule has been deduced from an experiment for the first time. An analysis of the photoionization efficiency curve measured by laser-ablation time-of-flight mass spectrometry has revealed that the hyperlithiated Li3O molecule is a floppy molecule with a "flat-bottomed" potential energy surface. The measured efficiency curve has a gradual linear rise from the threshold of 3.59 +/-0.02 eV up to the second onset of 4.4 +/- 0.1 eV. An ab initio calculation reveals that such a "flat-bottomed" potential is realized with four closely located wells corresponding to one D-3h and three C-2v minima. The vibrational wave function spreads all over these minima even at the ground-state level. Also, this is the first evidence for "electronomers".