0181559 - UFCH-W 20020193 RIV DE eng J - Journal Article
Sieger, M. - Hubler, K. - Scheiring, T. - Sixt, T. - Záliš, Stanislav - Kaim, W.
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.
Zeitschrift für anorganische und allgemeine Chemie. Roč. 628, - (2002), s. 2360-2364. ISSN 0044-2313. E-ISSN 1521-3749
R&D Projects: GA MŠMT OC D14.20
Institutional research plan: CEZ:AV0Z4040901
Keywords : carbonyl complexes * cobalt compounds * DFT calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.196, year: 2002

The new complexes (RN=CH-CH=NR)Co(NO)(CO), R = isopropyl (1), 2,6-diisopropylphenyl (2) and p-tolyl (3), were synthesized and spectroscopically characterized. Compounds I and 2 could be crystallized for X-ray structure analysis, CO/NO disorder was observed for 1. The results indicate a negligible amount of charge transfer from the Co(NO)(CO) moiety to the 1,4-diaza-butadiene acceptor ligands in the ground state, in agreement with DFT calculations on I and as similarly reported for related 1,4-diaza-1,3-butadiene complexes of Ni(CO)(2) and Fe(NO)(2).
Permanent Link: http://hdl.handle.net/11104/0078110