%0 Journal Article %1 Sieger.2002 %A Sieger, Monika %A Hubler, Klaus %A Scheiring, Thomas %A Sixt, Torsten %A Zalis, Stanislav %A Kaim, Wolfgang. %D 2002 %J Zeitschrift fuer Anorganische und Allgemeine Chemie %K DFT calcn cobalt complex complex;nitrosylcobalt crystal diazabutadiene electronic ground mol nitrosyl prepn state structure %N 11 %P 2360--2364 %R 10.1002/1521-3749(200211)628:11\textless2360::AID-ZAAC2360\textgreater3.0.CO;2-L %T Geometrical and ground state electronic structures of nitrosylcobalt complexes [(RNCHCHNR)Co(NO)(CO)] (R = isopropyl, 2,6-diisopropylphenyl or p-tolyl) from experiment and DFT-calculations %V 628 %X (RN:CHCH:NR)Co(NO)(CO), R = iso-Pr (1), 2,6-diisopropylphenyl (2) and p-tolyl (3), were synthesized and spectroscopically characterized. Compds. 1 and 2 could be crystd. for x-ray structure anal., CO/NO disorder was obsd. for 1. The results indicate a negligible amt. of charge transfer from the Co(NO)(CO) moiety to the 1,4-diazabutadiene acceptor ligands in the ground state, in agreement with DFT calcns. on 1 and as similarly reported for related 1,4-diaza-1,3-butadiene complexes of Ni(CO)2 and Fe(NO)2. [on SciFinder(R)]

@article{Sieger.2002, abstract = {(RN:CHCH:NR)Co(NO)(CO), R = iso-Pr (1), 2,6-diisopropylphenyl (2) and p-tolyl (3), were synthesized and spectroscopically characterized. Compds. 1 and 2 could be crystd. for x-ray structure anal., CO/NO disorder was obsd. for 1. The results indicate a negligible amt. of charge transfer from the Co(NO)(CO) moiety to the 1,4-diazabutadiene acceptor ligands in the ground state, in agreement with DFT calcns. on 1 and as similarly reported for related 1,4-diaza-1,3-butadiene complexes of Ni(CO)2 and Fe(NO)2. [on SciFinder(R)]}, added-at = {2022-06-15T11:26:56.000+0200}, author = {Sieger, Monika and Hubler, Klaus and Scheiring, Thomas and Sixt, Torsten and Zalis, Stanislav and Kaim, Wolfgang.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2dbd231e499cd0f6b76ac86d22a1d9965/huebleriac}, doi = {10.1002/1521-3749(200211)628:11{\textless}2360::AID-ZAAC2360{\textgreater}3.0.CO;2-L}, interhash = {006c59fa137d82e8aa397c63b1b1dbb0}, intrahash = {dbd231e499cd0f6b76ac86d22a1d9965}, issn = {0044-2313}, journal = {Zeitschrift fuer Anorganische und Allgemeine Chemie}, keywords = {DFT calcn cobalt complex complex;nitrosylcobalt crystal diazabutadiene electronic ground mol nitrosyl prepn state structure}, number = 11, pages = {2360--2364}, timestamp = {2022-06-15T09:26:56.000+0200}, title = {Geometrical and ground state electronic structures of nitrosylcobalt complexes [(RNCHCHNR)Co(NO)(CO)] (R = isopropyl, 2,6-diisopropylphenyl or p-tolyl) from experiment and DFT-calculations}, volume = 628, year = 2002 }