Vibrational characterisation of coordination and biologically active compounds by means of IR absorption, Raman and surface-enhanced Raman spectroscopy in combination with theoretical simulations

The thesis contains two major parts. The first part deals with structural investigations on different coordination compounds performed by using infrared absorption and FT-Raman spectroscopy in combination with density functional theory calculations. In the first section of this part the starting materials Ph2P-N(H)SiMe3 and Ph3P=NSiMe3 and their corresponding [(MeSi)2NZnPh2P-NSiMe3]2 and Li(o-C6H4PPh2NSiMe3)]2·Et2O complexes have been investigated in order to determine the influence of the metal coordination on the P–N bond length. In the next section the vibrational spectra of four hexacoordinated silicon(IV) and germanium(IV) complexes with three symmetrical bidentate oxalato(2-) ligands have been elucidated. Kinetic investigations of the hydrolysis of two of them, one with silicon and another one with germanium, have been carried out at room temperature and at different pH values and it was observed that the hydrolysis reaction occurs only for the silicon compound, the fastest reaction taking place at acidic pH. In the last section of this part, the geometric configurations of some hexacoordinated silicon(IV) complexes with three unsymmetrical bidentate hydroximato(2-) ligands have been determined. The second part of the thesis contains vibrational investigations of some biologically active molecules performed by means of Raman spectroscopy together with theoretical simulations. The SER spectra of these molecules at different pH values have also been analysed and the adsorption behaviour on the metal surface as well as the influence of the pH on the molecule-substrate interaction have been established.

Level thesis:degree_level

thesis.doctoral

Grantor dc:publisher

Universität Würzburg

Year

2003

Author dc:creator

• Bolboaca, Monica-Maria

Contributors dc:contributor

• Kiefer, Wolfgang

• FT-Raman-Spektroskopie
• Infrarot-Spektroskopie
• SERS
• DFT
• Koordinationsverbindungen
• biologisch aktiven Moleküle
• FT-Raman spectroscopy
• infrared spectroscopy
• coordination compounds
• biologically active molecules

Repository record source_url

https://opus.bibliothek.uni-wuerzburg.de/frontdoor/index/index/docId/385

OAI identifier oai:identifier

oai:opus.bibliothek.uni-wuerzburg.de:385