New Applications of Broadband Rotational Spectrosc.. (CPFTMW)
New Applications of Broadband Rotational Spectroscopy
Date du début: 1 nov. 2012,
Date de fin: 31 oct. 2017
"The recent invention of the chirped-pulse, Fourier transform microwave (CP-FTMW) spectrometer will allow application of rotational spectroscopy to a greatly expanded range of challenges over the next decade. The proposed work will apply the state-of-the-art CP-FTMW spectrometer at the University of Bristol to major themes in both fundamental and applied research. Palladium, platinum and nickel catalysts are of central importance in synthetic chemistry and the industrial production of chemicals. The microwave spectra of Mn...(C2H4), Mn...(C2H2), Mn-CCH and Mn-CH2 (M= Ni, Pd or Pt, n=1-3) will be measured to characterise structural and other changes induced in C2H4 and C2H2 by attachment to these metals. The results will inform understanding of the mechanisms of catalysis. The role and function of metal ions will be another major theme of the programme. Infrared-microwave (IR-MW) double resonance will be used to determine structures for (H2O)n...MCl and (H2O)n...MF (where M=Cu, Ag or Au and n=1-6) to gain insight into the interactions that govern solvation shell formation. Copper ions have biological significance and govern the conformations adopted by proteins that include amyloid B-peptide, the production of which is associated with Alzheimer’s disease and cytochrome C oxidase which is important for respiration. IR-MW double resonance will be used to probe the structure of complexes where the ionic copper atom of a copper chloride molecule coordinates to glycine, imidazole, alanine, histidine and cysteine, respectively. The proposed work will provide precise data for modelling of interactions in protein active sites. Finally, technical innovations will be implemented to support applications of the instrument in chemical analysis. A GC-CP-FTMW (GC=gas chromatography) instrument will be constructed to allow analysis of the composition of wine and fruit juice with the aim of establishing CP-FTMW spectroscopy as a useful tool for commercial applications."
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