Compds. [Re(CO)3X(R-DAB)], X = Cl, Br, CN, NCS and R-DAB = RN=CH-CH=NR (R = tert-butyl) were obtained, structurally characterized, and studied with regard to their oxidn. and redn. behavior using cyclic voltammetry, EPR, IR and UV-visible-NIR spectroelectrochem. Whereas the halide compds. exhibit more reversible oxidn. processes, the pseudohalide complexes display reversible one-electron redn., but irreversible oxidn. DFT and TD-DFT calcns. were employed to confirm the exptl. derived electronic structures and spectral properties. [on SciFinder(R)]
%0 Journal Article
%1 Grupp.2014b
%A Grupp, Anita
%A Bubrin, Martina
%A Ehret, Fabian
%A Kvapilova, Hana
%A Zalis, Stanislav
%A Kaim, Wolfgang.
%D 2014
%J Journal of Organometallic Chemistry
%K DFT carbonyl charge complex crystal diazabutadiene diimine halide oxidn prepn pseudohalide redn rhenium spectroelectrochem structure transfer;rhenium
%P 678--685
%R 10.1016/j.jorganchem.2013.08.030
%T Oxidation and reduction response of a-diimine complexes with tricarbonylrhenium halides and pseudohalides
%V 751
%X Compds. [Re(CO)3X(R-DAB)], X = Cl, Br, CN, NCS and R-DAB = RN=CH-CH=NR (R = tert-butyl) were obtained, structurally characterized, and studied with regard to their oxidn. and redn. behavior using cyclic voltammetry, EPR, IR and UV-visible-NIR spectroelectrochem. Whereas the halide compds. exhibit more reversible oxidn. processes, the pseudohalide complexes display reversible one-electron redn., but irreversible oxidn. DFT and TD-DFT calcns. were employed to confirm the exptl. derived electronic structures and spectral properties. [on SciFinder(R)]
@article{Grupp.2014b,
abstract = {Compds. [Re(CO)3X(R-DAB)], X = Cl, Br, CN, NCS and R-DAB = RN=CH-CH=NR (R = tert-butyl) were obtained, structurally characterized, and studied with regard to their oxidn. and redn. behavior using cyclic voltammetry, EPR, IR and UV-visible-NIR spectroelectrochem. Whereas the halide compds. exhibit more reversible oxidn. processes, the pseudohalide complexes display reversible one-electron redn., but irreversible oxidn. DFT and TD-DFT calcns. were employed to confirm the exptl. derived electronic structures and spectral properties. [on SciFinder(R)]},
added-at = {2022-06-15T11:26:56.000+0200},
author = {Grupp, Anita and Bubrin, Martina and Ehret, Fabian and Kvapilova, Hana and Zalis, Stanislav and Kaim, Wolfgang.},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/29c53c19f86a5da69772d6c7937e56d24/huebleriac},
doi = {10.1016/j.jorganchem.2013.08.030},
interhash = {350f4aa82b2134b371b77d2907d2f55a},
intrahash = {9c53c19f86a5da69772d6c7937e56d24},
journal = {Journal of Organometallic Chemistry},
keywords = {DFT carbonyl charge complex crystal diazabutadiene diimine halide oxidn prepn pseudohalide redn rhenium spectroelectrochem structure transfer;rhenium},
pages = {678--685},
timestamp = {2022-06-15T09:26:56.000+0200},
title = {Oxidation and reduction response of \textgreek{a}-diimine complexes with tricarbonylrhenium halides and pseudohalides},
volume = 751,
year = 2014
}
