%0 Journal Article %1 Bubrin.2012 %A Bubrin, Martina %A Krafft, Michael J. %A Steudle, Lisa %A Huebner, Ralph %A Field, John S. %A Zalis, Stanislav %A Kaim, Wolfgang. %D 2012 %J Organometallics %K EPR IR TCNE UV Vis;DFT bond complex coordination crystal cyano geometry mol nitrogen optimized pentacarbonyltungsten reassessment;TCNE sigma spectroelectrochem structure %N 17 %P 6305--6311 %R 10.1021/om300565q %T Structural Reassessment of [W(CO)5(TCNE)]: N (s) Coordination Instead of an Olefin (p) Complex %V 31 %X The blue title compd., long assumed to be an olefin complex on the basis of an apparently single unresolved CN stretching band in the IR spectrum, has been identified by expt. and through DFT anal. as a s complex with the tungsten atom coordinated to one of the nitrile N centers. The previously reported data are reinterpreted in light of the new structural assignment, and spectroelectrochem. results (UV-vis, IR, EPR) are presented. [on SciFinder(R)]

@article{Bubrin.2012, abstract = {The blue title compd., long assumed to be an olefin complex on the basis of an apparently single unresolved CN stretching band in the IR spectrum, has been identified by expt. and through DFT anal. as a \textgreek{s} complex with the tungsten atom coordinated to one of the nitrile N centers. The previously reported data are reinterpreted in light of the new structural assignment, and spectroelectrochem. results (UV-vis, IR, EPR) are presented. [on SciFinder(R)]}, added-at = {2022-06-15T11:26:56.000+0200}, author = {Bubrin, Martina and Krafft, Michael J. and Steudle, Lisa and Huebner, Ralph and Field, John S. and Zalis, Stanislav and Kaim, Wolfgang.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/203cef2280b0a591f005ea1d23701b3d2/huebleriac}, doi = {10.1021/om300565q}, interhash = {cf59c020e099b8fb97df6001ecc46248}, intrahash = {03cef2280b0a591f005ea1d23701b3d2}, issn = {0276-7333}, journal = {Organometallics}, keywords = {EPR IR TCNE UV Vis;DFT bond complex coordination crystal cyano geometry mol nitrogen optimized pentacarbonyltungsten reassessment;TCNE sigma spectroelectrochem structure}, number = 17, pages = {6305--6311}, timestamp = {2022-06-15T09:26:56.000+0200}, title = {Structural Reassessment of [W(CO)5(TCNE)]: N (\textgreek{s}) Coordination Instead of an Olefin (\textgreek{p}) Complex}, volume = 31, year = 2012 }