Fém-ligandum kölcsönhatás vizsgálata gázfázisú molekulaspektroszkópiai módszerekkel = Investigation of transition metal complexes by gas phase molecular spectroscopic methods

摘要

- Új kvantumkémiai eljárást dolgoztunk ki az átmenetifém-származékok fotoelektron (pe) színképének értelmezéséhez. - UPS vizsgálatok alapján meghatároztuk a CS és CSe ligandumok CO-hoz viszonyított donor-akceptor sajátságát. - Előállítottuk a Co(CO)2(N | Novel quantumchemical method has been worked out for the interpretation of the photoelectron (pe) spectra of transition metal derivatives.-Donor-acceptor properties of CS and CSe related to CO have been determined on the basis of UPS investigations.-New compound of Co(CO)2(NO)(t-BuNC) has been prepared and investigated by HeI UPS and threshold PEPICO methods. From the PEPICO measurements energetic and thermochemical data were derived.-Trimethyl phosphane, -arsane, and –stibane derivatives of CpMnCO3 and CoCO3NO have been investigated by HeI and HeII UPS methods and conclusions were drawn concerning the ?-acceptor and ?-donor ability of the ligands.-A new series of isonitrile-substituted cobalt tricarbonyl nitrosyl (Co(CO)2(NO)CNR, R= Me, Et, nPr, iPr, nBu, nPe, CH2SiMe3) has been synthesized and studied by HeI UPS. The relative importance of electronic and steric effects of the isonitrile ligands, as a function of the size of group –R were determined. Metallocene ions (Cp2M+, M=Cr,Co,Ni) were studied by TPEPICO spectroscopy to investigate the mechanism, energetics and kinetics of the ionic dissociation processes.-Me3Si and Me3Ge radicals were generated by the gas phase thermolysis of (Me3Si/Ge)2Hg. The HeI pe spectra were recorded and assigned.-Electronic structure determination of precursors (diiodofuroxan and thiadiazoles) of some exotic molecules has been performed. Pyrolizer/ reactor directly attached to the pe spectrometer has been constructed.