fulltext.study @t Gmail

Competitive ligand/chelate binding in [Cu(TMPA)]+ and [Cu(tren)]+ based complexes

Paper ID Volume ID Publish Year Pages File Format Full-Text
55673 47061 2011 8 PDF Available
Title
Competitive ligand/chelate binding in [Cu(TMPA)]+ and [Cu(tren)]+ based complexes
Abstract

The competition between coordination of an incoming ligand (CO, CH3CN, PH3, H2O, MeOH, PhOH and O2 in its triplet state) and decoordination of one arm of the tripod is examined in the case of the [Cu(TMPA)]+ and [Cu(tren)]+ complexes from a theoretical point of view. It is shown that in the case of strong ligand (CO, CH3CN and PH3), arm and ligand coordination are competitive but that coordination of both is the most favored structure. In the case of ROH ligands, a structure with one arm decoordinated and interacting through H-bond with the hydroxyl hydrogen is found. This structure is of special interest as it allows liberation of one bonding site, which can be used for further dioxygen coordination. The consequences of these results on the oxidation of alcohols by dioxygen catalyzed by these classes of complexes are discussed.

Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (91 K)Download as PowerPoint slideHighlights► We study competition between ligands and arm coordination on [Cu(N3N)L]+. ► Two N3N tripod are examined: tren and TMPA. ► Seven ligands are examined: CO, CH3CN, PH3, H2O, MeOH, PhOH, O2. ► ROH coordinate by insertion within one of the Cu–N bond. ► Dioxygen and ROH can bind together to the copper site.

Keywords
N3N ligands; Copper(I) complexes; Dioxygen; Alcohol oxidation
First Page Preview
Competitive ligand/chelate binding in [Cu(TMPA)]+ and [Cu(tren)]+ based complexes
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us
Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Today - Volume 177, Issue 1, 22 November 2011, Pages 79–86
Authors
, , , , , ,
Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us