The study of two previous papers in REMPI sepectra Jingming Long 2010.03.29.

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Presentation transcript:

The study of two previous papers in REMPI sepectra Jingming Long

Agust Kavran, Huasheng Wang, Ashildur Logadottir. Resonance enhanced multiphoton ionization of hydrogen halides: rotational structure and anomalies in Rydberg and ion-pair states of HCL and HBr[J]. J.Chemical Physics. 2000,112(24): Agust Kavran, Huasheng Wang, Kristian Matthiasson, et al. Two-dimensional (2+n) resonance enhanced multiphoton ionization of HCl: photorupture channels via the F 1 ∆ 2 Rydberg state and ab initio spectra[J]. J.Chemical Physics. 2008,129: Support Conform

The First PaperThe Second Paper Purpose Derive energy of rotational levels in the F,E,V states for HCl(H 35 Cl,H 37 Cl) and HBr(H 79 Br,H 81 Br). Quantify the contribution of Rydberg and valence intermediate states to the photoionization product formation. Method (2+1)REMPI-TOF Perturbation theory Analysis of rotational line shifts and Intensity alteration 1.2D(2+n)REMPI-TOF 2.Time dependent-density functional theory (TD-DFT), 3.Equation-of-motion coupled cluster (EOM-CC) 4.Analysis of Relative ion-signal intensity alteration, power dependent Results a)The first time to find near resonance interaction between the F and V states for HCl, HBr. b)Spectroscopy parameters (table1) are similar with others. c) off-resonance interaction between E and V states d)A model calculation for states interaction is made well for HCl. a)Interpreted the different photoionization channels via Rydberg states and ion-pair states successfully. b)Evaluated state interaction strength. c)Obtained vibrational and rotational spectroscopic parameters.

The First Paper

Repulsion Compression

a) HCl b) HBr Resonance Interaction ：

From experiment data From theory calculation Unperturbed Perturbed W 12

The Second Paper

What do we mainly do? Find new states. Derive the energy of vibrational and rotational levels Simulate relevant spectra. Compare experiment data with theory result and obtain spectroscopic parameters. Interpret photodissociation and photoionization mechanism. What can we use? TECHNOLOGY: REMPI-TOF ANALYSIS METHOD: Power Dependence Theory Simulation 2D(m+n), m=2,3. n=1,2..

Thank you ！