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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/4074

Title: Stabilizing the Elusive ortho-Quinone/Copper(I) Oxidation State Combination through pi/pi Interaction in an Isolated Complex
Authors: ROY, S
SARKAR, B
BUBRIN, D
NIEMEYER, M
ZALIS, S
LAHIRI, GK
KAIM, W
Keywords: transition-metal-complexes
crystal-structure
dicopper(i) complexes
amine oxidase
p-quinone
ligand
9,10-phenanthrenequinone
coordination
copper(i)
catechol
Issue Date: 2008
Publisher: AMER CHEMICAL SOC
Citation: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 130(46), 15230-+
Abstract: The heterodinuclear compound [(PhenQ)Cu(dppf)](BF(4)), PhenQ= 9,10-phenanthrenequinone and dppf = 1,1'-bis(diphenylphosphino)ferrocene, was identified structurally and spectroscopically (NMR, IR, UV-vis) as a copper(l) complex of a completely unreduced ortho-quinone. Crystallographic and DFT calculation results suggest that this stabilization of a hitherto elusive arrangement is partially owed to intramolecular pi/pi interactions phenyt/PhenQ. Intermolecular PhenQ/PhenQ pi stacking is also observed in the crystal. According to DFT calculations, the pi interactions are responsible for the considerably distorted coordination geometry at Cu(1) with one short and one longer Cu-O and Cu-P bond, respectively, and with bond angles at copper ranging from 99 degrees to 133 degrees. Electrochemical reduction proceeds reversibly at Low temperatures to yield an EPR spectroscopically characterized semiquinone-copper(I) species.
URI: http://dx.doi.org/10.1021/ja804429v
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4074
http://hdl.handle.net/10054/4074
ISSN: 0002-7863
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