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SUMMARY:IR spectroscopy of ferrocene and deuterated ferrocene: Experiment 
 and theory
DTSTART;VALUE=DATE-TIME:20141121T035500Z
DTEND;VALUE=DATE-TIME:20141121T041500Z
DTSTAMP;VALUE=DATE-TIME:20260711T055514Z
UID:indico-contribution-751@events01.synchrotron.org.au
DESCRIPTION:Speakers: Feng Wang (Swinburne University of Technology)\nThe 
 contemporary organometallic chemistry stems from the discovery of ferrocen
 e Fe(C5H5)2\, i.e.\, di-cyclopentadienyle iron (FeCp2 or Fc) half a centur
 y ago. Since its discovery\, the heated debate whether the eclipsed or the
  staggered is the most stable structure of Fc continues. The fact that ele
 ctronic structures and many properties of the Fc conformers are strikingly
  similar has been a key hurdle to differentiate or separate the configurat
 ions from one another. We recently discovered theoretically using DFT calc
 ulations that the 400-500 cm-1 region of the infrared (IR) spectra of Fc e
 xhibits the fingerprint conformers. Such the discovery was later confirmed
  by IR experimental measurements in a number of solutions\, in polar and n
 on-polar solvents. Understanding of the structure and dynamics of the sand
 wich complex is important as Fc derivatives may inherit particular propert
 ies which only exist in one conformer such as catalysis. It is further dis
 covered that the IR spectral fingerprint is associated with the vibrations
  of the centre Fe atom in the sandwich conformers\, which is seen in an ea
 rlier IR experiment of Fc. As a result\, we designed and conducted new hig
 h-resolution IR experiments in the gas-phase Far-IR beamline of the Austra
 lian Synchrotron to study Fc-h10 and deuterated Fc-d10. New results and an
 alysis in gas phase and in solutions will be presented at this meeting.\n\
 nhttps://events01.synchrotron.org.au/event/3/contributions/751/
LOCATION: Oliphant Auditorium
URL:https://events01.synchrotron.org.au/event/3/contributions/751/
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