Theoretical dynamical studies of metal clusters and cluster-ligand systems

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In what follows we use the term cluster to designate a cohesive group of like atoms (molecules), i.e., bare ({open_quotes}neet{close_quotes} {open_quotes}naked{close_quotes}) clusters. More generally, the term is also used for organo- and inorganometallic compounds, i.e., ligated clusters. Although the approaches and techniques used by the various disciplines to study metal-ligand interactions are quite different, many of the central subjects and issues are common for them. The common subjects include possible geometric structures and isomeric forms, structural (isomerization) transitions, stability, fluxionality, structure-reactivity correlation (or lack of it), role of coordination, etc. However, the precise interpretation of these issues and the details ... continued below

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36 p.

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Jellinek, J. June 1, 1995.

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Description

In what follows we use the term cluster to designate a cohesive group of like atoms (molecules), i.e., bare ({open_quotes}neet{close_quotes} {open_quotes}naked{close_quotes}) clusters. More generally, the term is also used for organo- and inorganometallic compounds, i.e., ligated clusters. Although the approaches and techniques used by the various disciplines to study metal-ligand interactions are quite different, many of the central subjects and issues are common for them. The common subjects include possible geometric structures and isomeric forms, structural (isomerization) transitions, stability, fluxionality, structure-reactivity correlation (or lack of it), role of coordination, etc. However, the precise interpretation of these issues and the details emphasized by the different disciplines are dictated by the nature of the objects studied and may not, therefore, be identical. For example, questions regarding structures, isomerization transitions, fluxionality or even melting of metal clusters refer to the state and properties of the metal network itself. The same questions, when asked in connection with organo- and inorganometallic compounds, often refer to the arrangements and rearrangements of the ligands attached to a metal framework of a fixed structure. Of course, when required, the state of and changes in the metal framework are considered as well. The fields of metal-containing molecular compounds, surface science, and physics and chemistry of clusters furnish complementary information on a broad variety of metal-ligand systems. A comprehensive understanding of the nature and properties of these systems, as defined by the type and number of metal atoms and ligands involved, can be achieved only through a mutual awareness of and continuing progress in all of these research areas.

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36 p.

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OSTI as DE95012461

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  • NATO Advanced Study Institute on metal-ligand interactions: structure and reactivity, Cetraro (Italy), 4-16 Sep 1994

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  • Other: DE95012461
  • Report No.: ANL/CHM/CP--83703
  • Report No.: CONF-9409347--1
  • Grant Number: W-31109-ENG-38
  • Office of Scientific & Technical Information Report Number: 67731
  • Archival Resource Key: ark:/67531/metadc708434

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  • June 1, 1995

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  • Sept. 12, 2015, 6:31 a.m.

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  • Dec. 15, 2015, 12:39 p.m.

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Jellinek, J. Theoretical dynamical studies of metal clusters and cluster-ligand systems, article, June 1, 1995; Illinois. (digital.library.unt.edu/ark:/67531/metadc708434/: accessed November 24, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.