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Quantum Rotational Dynamics of Methyl Iodide: A Study of Energy Levels and Tunneling Processes

This work by Group D focuses on the quantum rotational dynamics of methyl iodide (CH3I) using a three-fold potential model. The study aims to investigate critical parameters, including the height of the V3 well, librational energy, and the projected radius of hydrogen from carbon. We emphasize the tunneling energy, which is small (~2.3 meV) and its significance in quantum dynamics. Advanced techniques using high-resolution HFBS and high-energy transfer FANS enable detailed analysis of these properties at low temperatures. Acknowledgments are given to NIST and colleagues for contributions to this research.

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Quantum Rotational Dynamics of Methyl Iodide: A Study of Energy Levels and Tunneling Processes

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  1. Quantum Rotational Dynamics of CH3I Group D Y Liu, S Jonas, V Atakan, H Wu, S Omar-Diallo, I-K. Jeong D. Phelan

  2. System description V3 Methyl Iodide Three fold potential model

  3. Numerical Values of Energy Level

  4. Experimental Goals • What we are looking for: • The “height”of the V3 well • The librational energy • The projected radius of Hydrogen from Carbon

  5. Why HFBS and FANS? • The tunneling energy is quite small • Tunneling process have energies on order of ~ meV • The HFBS has high resolution. ~1 meV, well below the conventional triple-axis and neutron TOF spectrometers. • The FANS has high energy transfer (~100meV)

  6. HFBS and FANS diagram:

  7. How HFBS works • The HFBS varies incident energy by using a cam-based Doppler-driven monochromator. • Phase Space Transformer increase flux 4x. Very large analyzer array, 20% of 4p. • The scattering chamber is operated under vacuum • instead of Ar or He improving the signal-to-background ratio.

  8. Inelastic Scattering (T = 8K) Tunneling Energy: ~2.3meV V3 ~ 42meV

  9. Quasielastic Analysis (T = 38K) Elastic and Quasielastic Peak EISF Fitting Jump Diffusion Model: • Rexp =1.03A • Rcal =1.027A

  10. Librational Energy Study by FANS 1st libration energy: ~14meV

  11. Acknowledgement • NIST • Zema Chowdhuri, Robert Dimeo (HFBS) • Craig Brown (FANS) • Members of Group D, summer school 2003

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