Thursday, August 19, 2010

Reaction Mechanism for Ammonium Sulfates's Phase Transition

During a chemical reaction, the atoms in the reactants are rearranged to form new compounds. On a molecular level, the spatial arrangement of electrons and nuclei changes. While the structure of the reactant and product molecules can be measured the reaction mechanism, or the transient structures and molecular motions during a reaction, have remained unknown in most cases, but, this knowledge is a key element needed to understand the reaction.

Scientists at the Max-Born Institute in Berlin have now succeeded in making a "molecular movie" of the thermal phase transitions of ammonium sulfate which is a reversible reaction.

Using an advanced femtosecond laser system which generates a blue pulse of 50 femtosecond duration, they initiated the chemical reaction and then probed the structure of the excited material with high spatial resolution using a synchronised X-ray flash of 100 femtosecond duration. The X-ray pulse is diffracted off a powder made of small crystals, this is known as the Debye-Scherrer method. By simultaneously measuring the many different X-ray reflections they reconstructed the transient distances of atomic lattice planes and in turn the three dimensional distribution of electronic charge within the crystal. The "molecular movie" was created by taking X-ray snap shots at various times after triggering the reaction.

What they found is that the blue flash caused a release of both a proton from the ammonium ion and an electron from the sulfate ion. The proton and the electron then merged to form a hydrogen atom which jumped back and forth between two distant spatial positions.

Reference:
Michael Woerner, Flavio Zamponi, Zunaira Ansari, Jens Dreyer, Benjamin Freyer, Mirabelle Prémont-Schwarz, Thomas Elsaesser. Concerted electron and proton transfer in ionic crystals mapped by femtosecond x-ray powder diffraction. The Journal of Chemical Physics, 2010; 133 (6): 064509 DOI: 10.1063/1.3469779


Study Questions
  1. Give the molecular formula for ammonium sulfate.
  2. What is the oxidation state (oxidation number) for nitrogen in the ammonium ion?
  3. What is the oxidation state (oxidation number) for sulfur in the sulfate ion?
  4. Write a chemical equation for the overall reaction for the thermal phase transition of ammonium sulfate.
  5. What is meant by the term reversible reaction? Explain your answer using the chemical equation above.
  6. Draw Lewis structures (electron dot diagrams) for the ammonium ion and the sulfate ion.
  7. Draw Lewis structures (electron dot diagrams) for each of the ions above immediately after the laser's blue flash initiates the reaction.
  8. Using the new species above, give the oxidation state (oxidation number) for nitrogen and sulfur after the reaction is initiated. Compare these oxidation states to those in questions 2 and 3. Is this an example of a redox reaction? Explain your answer.
  9. Define the terms Bronsted-Lowry acid and Bronsted-Lowry base.
  10. Are any of the species described in the reaction mechanism for the thermal phase transition of ammonium sulfate acting as Bronsted-Lowry acids or Bronsted-Lowry bases. Explain your answer.
  11. Define the terms Lewis acid and Lewis base.
  12. Are any of the species described in the reaction mechanism for the thermal phase transition of ammonium sulfate acting as Lewis acids or Lewis bases. Explain your answer.

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