REAL

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

Szepes, László and Csonka, István and Frigyes, Dávid and Krebsz, Melinda and Pasinszki, Tibor and Sztáray, Bálint and Tarczay, György and Vass, Gábor (2011) Fém-ligandum kölcsönhatás vizsgálata gázfázisú molekulaspektroszkópiai módszerekkel = Investigation of transition metal complexes by gas phase molecular spectroscopic methods. Project Report. OTKA.

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Abstract

- 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.

Item Type: Monograph (Project Report)
Uncontrolled Keywords: Fizikai-Kémia és Szervetlen Kémia
Subjects: Q Science / természettudomány > QD Chemistry / kémia > QD02 Physical chemistry / fizikai kémia
Depositing User: Kotegelt Import
Date Deposited: 01 May 2014 05:53
Last Modified: 18 Aug 2014 07:54
URI: http://real.mtak.hu/id/eprint/11686

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