1 / 9

Experiment using the Disc Chopper Spectrometer

Experiment using the Disc Chopper Spectrometer . Rotational Ligand Dynamics Group D S. Diallo, I-K. Jeong, S. Jonas, D. Phelan, Y. Liu, V. Atakan, H. Wu. Our system: Mn[N(CN) 2 ] 2 .pyrazine. . At 408 K - Large Debye-Waller Factor on pyrazine -Phase transition

aubrey-allen
Télécharger la présentation

Experiment using the Disc Chopper Spectrometer

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. Experiment using the Disc Chopper Spectrometer Rotational Ligand Dynamics Group D S. Diallo, I-K. Jeong, S. Jonas, D. Phelan, Y. Liu, V. Atakan, H. Wu

  2. Our system: Mn[N(CN)2]2.pyrazine • . At 408 K • - Large Debye-Waller Factor on pyrazine • -Phase transition • At 435 K Decomposes and loses pyrazine

  3. Experiment • The goal is to probe the motion of the Hydrogen atoms in Mn[N(CN)2]2.pyrazine.

  4. DCS: TOF instrument

  5. Measurement and Data Analysis • Deuterated sample for coherent Bragg diffraction to obtain structure as a function of temperature and paramagnetic structure • Protonated to observe both single particle motion (quasielastic) and to weigh the inelastic scattering spectrum in favor of hydrogen (vibrations)

  6. EISF!! QISF!! Protonated Data fitting using DAVE Ao = ½[1+sin(2Qr)/(2Qr)] At T= 425 K

  7. Elastic Incoherent Scattering Function (EISF) T=425K, Fitting of EISF, Eq: p0 + p1 * sin(p2*x)/(p2*x) R=p2=3.86(3)A

  8. Conclusions and further considerations • In our fitting, we did find a good value of the rotation radius using the two-fold model.

  9. Thanks to all the NCNR staff for their help and support.

More Related