Time-dependent density functional calculations on the electronic spectra of the neutral nickel complex [Ni(LISQ)2] (LISQ= 3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1−)) and its monoanion and dication-Reference-Cited by-同舟云学术

Time-dependent density functional calculations on the electronic spectra of the neutral nickel complex [Ni(LISQ)2] (LISQ= 3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1−)) and its monoanion and dication

Published:2009-10 Issue:13 Volume:30 Page:2087-2098
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Bachler Vinzenz

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference70 articles.

1. Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal−Metal Bonds

2. Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(LISQ)2] (LISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-))

3. Differences between the four halide ligands, and discussion remarks on trigonal-bipyramidal complexes, on oxidation states, and on diagonal elements of one-electron energy

4. Non-innocent behaviour in mononuclear and polynuclear complexes: consequences for redox and electronic spectroscopic properties

5. Tuning the Electronic Structure of Halidobis(o-imino-benzosemiquinonato)iron(III) Complexes

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