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
(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)
%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 = {2019-07-15T13:41:23.000+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/b_schwederski},
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 = {2019-07-15T11:42:10.000+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
}