期刊
JOURNAL OF CHEMICAL PHYSICS
卷 132, 期 23, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3455207
关键词
ab initio calculations; excited states; molecular dynamics method; molecule-photon collisions; organic compounds; photoionisation; predissociation; rotational states; ultraviolet spectra; vibrational states
资金
- MICINN (Spain) [CTQ2008-02578/BQU, CSD2007-00013]
- European Union [PITN-GA-2008-214962]
A femtosecond pump-probe experiment, coupled with velocity map ion imaging, is reported on the second absorption band (B-band) of CH3I. The measurements provide a detailed picture of real-time B-band predissociation in the band origin at 201.2 nm. Several new data are reported. (i) A value of 1.5 +/- 0.1 ps has been obtained for the lifetime of the excited state, consistent within errors with the only other direct measurement of this quantity [A.P. Baronavski and J.C. Owrutsky, J. Chem. Phys. 108, 3445 (1998)]. (ii) It has been possible to measure the angular character of the transition directly through the observation of fragments appearing early with respect to both predissociation lifetime and molecular rotation. (iii) Vibrational activity in CH3 has been found, both in the umbrella (v(2)) and the symmetric stretch (v(1)) modes, with estimates of relative populations. All these findings constitute a challenge and a test for much-wanted high level ab initio and dynamics calculations in this energy region. (C) 2010 American Institute of Physics. [doi:10.1063/1.3455207]
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