%0 Journal Article %1 Roy.2008 %A Roy, Sayak %A Sarkar, Biprajit %A Bubrin, Denis %A Niemeyer, Mark %A Zalis, Stanislav %A Lahiri, Goutam Kumar %A Kaim, Wolfgang. %D 2008 %J Journal of the American Chemical Society %K complex complex;mol copper diphenylphosphinoferrocene monovalent ortho phenanthrenequinone prepn quinone structure structure;crystal %N 46 %P 15230--15231 %R 10.1021/ja804429v %T Stabilizing the elusive ortho-quinone/copper(I) oxidation state combination through p/p interaction in an isolated complex %V 130 %X The copper(I) diphosphine o-quinone heterodinuclear compd. (PhenQ)Cu(dppf)BF4 (PhenQ = 9,10-phenanthrenequinone dppf = 1,1'-bis(diphenylphosphino)ferrocene) was identified structurally and spectroscopically (NMR, IR, UV-vis) as a copper(I) complex of a completely unreduced ortho-quinone. Crystallog. and DFT calcn. results suggest that this stabilization of a hitherto elusive arrangement is partially owed to intramol. p/p interactions phenyl/PhenQ. Intermol. PhenQ/PhenQ p stacking is also obsd. in the crystal. According to DFT calcns., the p interactions are responsible for the considerably distorted coordination geometry at Cu(I) with one short and one longer Cu-O and Cu-P bond, resp., and with bond angles at copper ranging from 99° to 133°. Electrochem. redn. proceeds reversibly at low temps. to yield an EPR spectroscopically characterized semiquinone-copper(I) species. on SciFinder(R)

@article{Roy.2008, abstract = {The copper(I) diphosphine o-quinone heterodinuclear compd. [(PhenQ)Cu(dppf)][BF4] (PhenQ = 9,10-phenanthrenequinone dppf = 1,1'-bis(diphenylphosphino)ferrocene) was identified structurally and spectroscopically (NMR, IR, UV-vis) as a copper(I) complex of a completely unreduced ortho-quinone. Crystallog. and DFT calcn. results suggest that this stabilization of a hitherto elusive arrangement is partially owed to intramol. \textgreek{p}/\textgreek{p} interactions phenyl/PhenQ. Intermol. PhenQ/PhenQ \textgreek{p} stacking is also obsd. in the crystal. According to DFT calcns., the \textgreek{p} interactions are responsible for the considerably distorted coordination geometry at Cu(I) with one short and one longer Cu-O and Cu-P bond, resp., and with bond angles at copper ranging from 99° to 133°. Electrochem. redn. proceeds reversibly at low temps. to yield an EPR spectroscopically characterized semiquinone-copper(I) species. [on SciFinder(R)]}, added-at = {2022-06-15T11:26:56.000+0200}, author = {Roy, Sayak and Sarkar, Biprajit and Bubrin, Denis and Niemeyer, Mark and Zalis, Stanislav and Lahiri, Goutam Kumar and Kaim, Wolfgang.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2d6fb1a22f51d470b4ac79022d183eba1/huebleriac}, doi = {10.1021/ja804429v}, interhash = {382d07f2a8d2fc9a00aa6482d87de4a1}, intrahash = {d6fb1a22f51d470b4ac79022d183eba1}, issn = {0002-7863}, journal = {Journal of the American Chemical Society}, keywords = {complex complex;mol copper diphenylphosphinoferrocene monovalent ortho phenanthrenequinone prepn quinone structure structure;crystal}, number = 46, pages = {15230--15231}, timestamp = {2022-06-15T09:26:56.000+0200}, title = {Stabilizing the elusive ortho-quinone/copper(I) oxidation state combination through \textgreek{p}/\textgreek{p} interaction in an isolated complex}, volume = 130, year = 2008 }