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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:20260615T084530Z
UID:indico-contribution-206-751@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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SUMMARY:Synchrotron Powder Diffraction Study of Cement Pastes
DTSTART;VALUE=DATE-TIME:20141121T033500Z
DTEND;VALUE=DATE-TIME:20141121T035500Z
DTSTAMP;VALUE=DATE-TIME:20260615T084530Z
UID:indico-contribution-206-723@events01.synchrotron.org.au
DESCRIPTION:Speakers: Estela Garcez (Monash University)\nThe degree of hyd
 ration of cement pastes is critical for determining properties such as the
  durability of concrete. As part of an integrated study on the prediction 
 of chloride ingress in reinforced concrete\, synchrotron X-ray powder diff
 raction was used to estimate the degree of hydration of cement pastes. Whi
 le for the past 20 years the composition of Portland cement has been deter
 mined by Rietveld analysis of X-ray diffraction\, nevertheless there are a
  number of factors\, including the amorphous content of the cement and rel
 ative proportion of mineral polymorphs present in the initial clinker\, wh
 ose impact on the analysis are still not completely understood. X-ray powd
 er diffraction beamlines from The Brazilian Synchrotron Light Laboratory (
 LNLS) and The Australian Synchrotron were used to analyze a suite of produ
 ction cements from both countries. The results showed significant differen
 ces in degree of hydration and composition in the two cements.\n\nhttps://
 events01.synchrotron.org.au/event/3/contributions/723/
LOCATION: Oliphant Auditorium
URL:https://events01.synchrotron.org.au/event/3/contributions/723/
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SUMMARY:New Packings and Properties for Supramolecular Nanoballs through S
 olvent and Counterion Variation
DTSTART;VALUE=DATE-TIME:20141121T024500Z
DTEND;VALUE=DATE-TIME:20141121T031500Z
DTSTAMP;VALUE=DATE-TIME:20260615T084530Z
UID:indico-contribution-206-679@events01.synchrotron.org.au
DESCRIPTION:Speakers: Stuart Batten (Monash University)\nWe have synthesis
 ed large (2.7 nm) spherical metallosupramolecules (‘nanoballs’) with i
 nteresting properties [1-3]. Metal ions can be varied with retention of ov
 erall structure and crystal packing. The molecular packing creates cavitie
 s within the solid state\, and the crystals readily absorb solvents such a
 s methanol\, acetonitrile or acetone (which also changes the magnetic prop
 erties)\, and absorb significant amounts of hydrogen and carbon dioxide (b
 ut not methane)\, pointing to a new class of porous materials. Other prope
 rties include switching between two magnetic spin states (spin crossover) 
 upon change in temperature or irradiation of light\, and size-selective ca
 talysis. New packing arrangements of the nanoballs can then be achieved th
 rough variation of the counteranions or nitrile solvent\, leading to new p
 hases with different physical properties.\n\n[1]    M.B. Duriska\, S.M. Ne
 ville\, B. Moubaraki\, et al.\, Angew. Chem. Int. Ed.\, 2009\, 48\, 2549.\
 n[2]    M.B. Duriska\, S.M. Neville\, J. Lu\, et al.\, Angew. Chem. Int. E
 d.\, 2009\, 48\, 8919.\n[3]    M.B. Duriska\, S.M. Neville\, B. Moubaraki\
 , et al.\, ChemPlusChem\, 2012\, 77\, 616.\n\nhttps://events01.synchrotron
 .org.au/event/3/contributions/679/
LOCATION: Oliphant Auditorium
URL:https://events01.synchrotron.org.au/event/3/contributions/679/
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SUMMARY:<i>In Situ</i> PXRD Studies of the Solvothermal Syntheses of WO<su
 b>3</sub>-Ethylenediamine Hybrid Nanowires and Bi<sub>2</sub>Se<sub>x</sub
 >Te<sub>3-x</sub> Nanoplatelets
DTSTART;VALUE=DATE-TIME:20141121T031500Z
DTEND;VALUE=DATE-TIME:20141121T033500Z
DTSTAMP;VALUE=DATE-TIME:20260615T084530Z
UID:indico-contribution-206-645@events01.synchrotron.org.au
DESCRIPTION:Speakers: Fang Xia (CSIRO)\nSolvothermal syntheses are very ve
 rsatile for fabricating nanostructured materials. While the majority of st
 udies focus on materials syntheses\, little attention has been paid to und
 erstanding the synthesis mechanisms\, which are of vital importance to the
  rational design of synthesis for preparing optimized materials. In this c
 ontext\, in situ powder X-ray diffraction (PXRD) is ideal to study solvoth
 ermal materials syntheses as it is capable of providing direct reaction in
 formation under the harsh autoclave synthesis conditions. In this presenta
 tion\, I will show the application of in situ PXRD in solving the mechanis
 ms of the solvothermal synthesis of (1) WO3-ethylenediamine inorganic-orga
 nic hybrid nanowires\, and (2) Bi2SexTe3-x nanoplatelets. The WO3-ethylene
 diamine nanowires showed excellent performance in catalysis and water trea
 tment and Bi2SexTe3-x nanoplatelets are topological insulators that have p
 otential applications in the electronic and optoelectronics areas. In the 
 in situ PXRD experiments\, solvothermal syntheses were conducted in quartz
  glass microreactors that were placed at the beam centre of the Australian
  Synchrotron powder diffraction beamline\, and the time resolved PXRD patt
 erns were recorded to follow the phase evolution during the synthesis. For
  both materials\, in situ PXRD discovered intermediate phases that played 
 an important role in controlling the formation of the final nanostructured
  materials.\n\nhttps://events01.synchrotron.org.au/event/3/contributions/6
 45/
LOCATION: Oliphant Auditorium
URL:https://events01.synchrotron.org.au/event/3/contributions/645/
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