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Electronic structure and bonding fac...

Bill, Tonja Guianen.

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Electronic structure and bonding factors of transition metal-phosphine and -carbene molecules.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Electronic structure and bonding factors of transition metal-phosphine and -carbene molecules./
Author:	Bill, Tonja Guianen.
Description:	240 p.
Notes:	Source: Dissertation Abstracts International, Volume: 64-10, Section: B, page: 4929.
Contained By:	Dissertation Abstracts International64-10B.
Subject:	Chemistry, Inorganic. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3108886

Electronic structure and bonding factors of transition metal-phosphine and -carbene molecules.
Bill, Tonja Guianen.

Electronic structure and bonding factors of transition metal-phosphine and -carbene molecules. - 240 p.

Source: Dissertation Abstracts International, Volume: 64-10, Section: B, page: 4929.

Thesis (Ph.D.)--The University of Arizona, 2003.

The bonding interactions of phosphines and carbenes with a transition metal center have been explored with gas-phase photoelectron spectroscopy and computational methods. The interactions governing the electronic differences between these two species are probed in order to comment on differences in reactivity that are seen in transition-metal catalytic species. The principles governing the nature of sigma and pi bonding for phosphines and carbenes have been explored and quantified.Subjects--Topical Terms:

517253
Chemistry, Inorganic.

Electronic structure and bonding factors of transition metal-phosphine and -carbene molecules.
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035 $a (UnM)AAI3108886
035 $a AAI3108886
040 $a UnM $c UnM
100 1 $a Bill, Tonja Guianen. $3 1949004
245 1 0 $a Electronic structure and bonding factors of transition metal-phosphine and -carbene molecules.
300 $a 240 p.
500 $a Source: Dissertation Abstracts International, Volume: 64-10, Section: B, page: 4929.
500 $a Director: Dennis L. Lichtenberger.
502 $a Thesis (Ph.D.)--The University of Arizona, 2003.
520 $a The bonding interactions of phosphines and carbenes with a transition metal center have been explored with gas-phase photoelectron spectroscopy and computational methods. The interactions governing the electronic differences between these two species are probed in order to comment on differences in reactivity that are seen in transition-metal catalytic species. The principles governing the nature of sigma and pi bonding for phosphines and carbenes have been explored and quantified.
520 $a The electronic bonding factors of the ligand L in the (L)2(CL) 2Ru=CHPh have been probed in order to explain the catalytic reactivity differences in Grubb's first generation bisphosphine species where L = tricyclohexylphosphine (PCy3) to the second generation ruthenium catalyst where an N-heteocyclic carbene (NHC) 1,3-dimesityl-imidazolidine-2-ylidene (H2IMes) replaces one of the phosphines in the catalyst. To directly compare the bonding modes of PCy3 and NHCs, the (CO)5MoL system is utilized in order to take advantage of its high symmetry. Results indicate that the NHC ligands are stronger a donors than phosphines, and essentially have no pi-acceptor ability. These electronic differences have key implications to the differences these catalyst exhibit in terms of initiation and propagation.
520 $a Next, the bonding in the Cp*Ru(Cl)L molecules, where L = PCy3, PiPr3, H2IMes, IMes and Pri 2Me2Im, is explored by photoelectron spectroscopic investigations and supporting electronic structure calculations. The Cp*Ru(Cl)L system is a coordinatively unsaturated 16 electron system which can electronically and satirically bind small molecules. This system has been found to have electronic structure interactions similar to half-sandwich complexes. In addition, the ionization energies measured from the photoelectron spectra of Cp*Ru(C)L molecules correlate well to solution calorimetry measurements of bond energies by Nolan and co-workers.
520 $a Finally, the nature of a rare "internal" transition metal iridium carbene is probed via gas-phase photoelectron spectroscopy and density functional calculations. Ionizations measured for the [IrCl( tBu2PCH2CH2CCH2CH 2PtBu2)] complex with the support of theoretical calculations serve to establish the valency of the iridium metal center. This internal pincer has been found to have a "covalent carbene-metal" interaction.
590 $a School code: 0009.
650 4 $a Chemistry, Inorganic. $3 517253
690 $a 0488
710 2 0 $a The University of Arizona. $3 1017508
773 0 $t Dissertation Abstracts International $g 64-10B.
790 1 0 $a Lichtenberger, Dennis L., $e advisor
790 $a 0009
791 $a Ph.D.
792 $a 2003
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3108886