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Vibrationally resolved anion photoel...

Miller, Stephen R.

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Vibrationally resolved anion photoelectron spectroscopy of metal clusters.

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Vibrationally resolved anion photoelectron spectroscopy of metal clusters./
Author:	Miller, Stephen R.
Description:	350 p.
Notes:	Adviser: Doreen G. Leopold.
Contained By:	Dissertation Abstracts International68-10B.
Subject:	Chemistry, Inorganic. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3285661
ISBN:	9780549279433

Vibrationally resolved anion photoelectron spectroscopy of metal clusters.
Miller, Stephen R.

Vibrationally resolved anion photoelectron spectroscopy of metal clusters. - 350 p.

Adviser: Doreen G. Leopold.

Thesis (Ph.D.)--University of Minnesota, 2007.

Vibrationally resolved anion photoelectron spectroscopy of metal clusters Vibrationally resolved anion photoelectron spectroscopy (APES) and density functional theory (DFT) are applied to the study of structure and reactivity in small metal containing molecules. The studies described fall into two general categories: the study of bare metal clusters and the study of metal/organic ligand reactions.

ISBN: 9780549279433Subjects--Topical Terms:

517253
Chemistry, Inorganic.

Vibrationally resolved anion photoelectron spectroscopy of metal clusters.
LDR:03037nam 2200313 a 45 001 962457
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008 110831s2007 ||||||||||||||||| ||eng d
020 $a 9780549279433
035 $a (UMI)AAI3285661
035 $a AAI3285661
040 $a UMI $c UMI
100 1 $a Miller, Stephen R. $3 1285513
245 1 0 $a Vibrationally resolved anion photoelectron spectroscopy of metal clusters.
300 $a 350 p.
500 $a Adviser: Doreen G. Leopold.
500 $a Source: Dissertation Abstracts International, Volume: 68-10, Section: B, page: 6685.
502 $a Thesis (Ph.D.)--University of Minnesota, 2007.
520 $a Vibrationally resolved anion photoelectron spectroscopy of metal clusters Vibrationally resolved anion photoelectron spectroscopy (APES) and density functional theory (DFT) are applied to the study of structure and reactivity in small metal containing molecules. The studies described fall into two general categories: the study of bare metal clusters and the study of metal/organic ligand reactions.
520 $a The current lack of spectroscopic data for small, bare gas-phase metal compounds makes the experimental study of such compounds important for understanding structure and bonding in open-shell metallic species. The heteronuclear diatomic anions MCu- (M = Cr, Mo) were prepared in a flowing afterglow ion-molecule reactor, and studied experimentally with APES. Anion and neutral vibrational frequencies and MCu electron affinities were obtained for both systems. The experiments were supplemented by DFT calculations. The combined use of experiment and theory allows for the assignment of both photoelectron spectra, including a reassignment of the CrCu ground state reported in the literature. Similarly, DFT was used to assign the anionic/neutral electronic states observed in the photoelectron spectra of Al3- and Al3O-.
520 $a The study of partially ligated organometallic complexes offers a means of examining the interactions between metal atoms and individual ligand molecules. DFT was used to assign electronic states observed in the photoelectron spectra of NbC2H2-, NbC4H4 -NbC6H6- and VC6H 6-. Comparison of the NbnHn - (n = 2, 4, 6) spectra (obtained through the reaction of C2 H4 and Nb) with DFT results provides the first direct spectroscopic evidence of the conversion of ethylene to benzene by a gas phase metal atom. Experiments were used to probe the reactivity of Y with C2H 4 in an effort to examine the generality of the metal induced C 2H4 dehydrogenation/cyclization reactions. Some of the key products in the Y reactions were YC2H-, YC 2H2-, and YC6H5 -. However, the results indicate that Y does not mediate benzene formation from ethylene under the experimental conditions employed.
590 $a School code: 0130.
650 4 $a Chemistry, Inorganic. $3 517253
650 4 $a Chemistry, Physical. $3 560527
650 4 $a Physics, Molecular. $3 1018648
690 $a 0488
690 $a 0494
690 $a 0609
710 2 $a University of Minnesota. $3 676231
773 0 $t Dissertation Abstracts International $g 68-10B.
790 $a 0130
790 1 0 $a Leopold, Doreen G., $e advisor
791 $a Ph.D.
792 $a 2007
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3285661