Fakultät für Chemie - Gas Electron Diffraction (GED)
 
 
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Bielefeld University > Department of Chemistry > Research Groups > ac3-mitzel > Gas Electron Diffraction (GED)

GED-Projects

 

Conformational effects in the Structures of Phosphorousisocyanates

Cl2PNCO
Cl2P(O)NCO


Different effects of lone pairs and oxygen substituents, in cooperation with WILLNER

 

Strucutres and Conformations of Derivatives of Pyrosulfuric acids

ClC(O)OS(O)2Cl
ClS(O)2OS(O)2Cl

Important Intermediates in atmospheric and industrial chemistry in cooperation with the group of Carlos O. Della Védova, Universidad Nacional de La Plata, Argentinia

 

 

bismuth(III) alkyl compounds


    BiR3 (R=iPr,tBu,CH2CHCH2,CHCH2)
        by now only one known gas phase structure of bismuth(III) organyl compounds (BiPh3)
        comparing of gas phase structure with solid state structure, yielded by in-situ-cristallisation
        prediction of influence of relativistic effects on the structure (comparing with BiPh3), as well as on vibrational modes
    R2Bi-BiR2 (R=Me, more to come)
        studies according length and strength of Bi-Bi-bonds, which are supposed to play an essential  role in thermochromic behavior of Bi-compounds
        influence of relativistic effects on Bi-Bi-bond    

 

 

Effects of substituents...

...on the S-C≡N group

Comparing with literature data of the root molecule CH3-SCN, studies are carried out using various substituents for hydrogen.

 

  1. CCl3-SCN
  2. CH2Cl-SCN
  3. CCl2F-SCN

More analogues following.

DFG -project in cooperation with the group of Carlos O. Della Védova, Universidad Nacional de La Plata, Argentinia

 

Bond Length Isomerism?

Ti((ON(CH3)CH2)2

XRD: two sets of Ti-O and Ti-N distances (Cs)

GED: one set of Ti-O and Ti-N distances (S4?)

 

OLEDs

Ir(ppy)3

structural characterization of badly soluble triplett emitter compound understanding and predicting effects of SOC on the molecular structure generation of new solid state Modifications of Irppy3 via sublimation.

 

Gerätezentrum gefördert durch die DFG

 

High Energy Density Materials


    (CH3)3C-CH2-ONO2
    (CH3)3Si-CH2-ONO2
        prediction of stability of HDEM materials
        coworkers: KLAPÖTKE, NIEDNER, TACKE