Survying the Process of Photodissociation of Methane with Using the Femto Second Lasers

Irani, Elnaz | 2009

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 39734 (04)
  4. University: Sharif University of Technology
  5. Department: Physics
  6. Advisor(s): Sadighi Bonabi, Rasoul
  7. Abstract:
  8. In this project , the dissociation of methane in the presence of Ti:Sapphire laser with parameters of 1014wcm-2, 800nm wave lengths and 100fs pulse width have been investigated theoretically, by using the Gaussian03 package –computational chemistry program that is capable of predicting many properties of atomic and molecular systems. It is based upon the fundamental laws of quantum mechanism. By considering some limitations in approximate techniques and incapability of advancing them, numerical calculation of solving the time dependent Schrödinger equation in order to improve the results and find more quantum dynamic information is applied. Therefore at first, by Gaussian03 package some of molecular dynamic information such as spatial orientation, the function of dipole moment, classical trajectory, vibration frequency and potential energy surface are achieved. Then for methane molecule, modeled as a Morse oscillator, time dependent Schrödinger equation has been numerically solved for the intensity of 13×1013wcm-2 with starting from the vibration ground state at zero time. Several TD quantities such as Norm, transition probability, dissociation probability are found. The development in achieving the high dissociation probability have integrated with exploiting controllable parameters such as frequency, intensity and especially duration of the pulse. Advances in recent laser technologies have provided the possibility of forming Femto-second pulse shaping, enabling the generation of arbitrary laser pulses .consequently, we also investigate the effect of laser pulse width through its pulse shaping in a tailored two rectangular laser pulse as a significant factor in this process and improve our results in dissociation probability calculation which leads to generate more carbohydrate products
  9. Keywords:
  10. Pulse Shaping ; Photo Dissociation ; Methane Molecule ; Femtosecond Laser ; Potential Energy Surface

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