Metal-to-Ligand Electron Transfer in Diiminopyridine Complexes of Mn−Zn. A Theoretical Study-Reference-Cited by-同舟云学术

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Metal-to-Ligand Electron Transfer in Diiminopyridine Complexes of Mn−Zn. A Theoretical Study

Published:2001-07-31 Issue:18 Volume:40 Page:4649-4655
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

Budzelaar Peter H. M.¹,de Bruin Bas¹,Gal Anton W.¹,Wieghardt Karl²,van Lenthe Joop H.³

Affiliation:

1. Department of Inorganic Chemistry, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands

2. Max-Planck-Institut für Strahlenchemie, Stiftstrasse 34−36, D-45470 Mülheim an der Ruhr, Germany

3. Theoretical Chemistry Group, University of Utrecht, Padualaan 14, 3584 CH Utrecht, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ic001457c

Reference13 articles.

1. Molecular and Electronic Structures of Bis(pyridine-2,6-diimine)metal Complexes [ML2](PF6)n (n = 0, 1, 2, 3; M = Mn, Fe, Co, Ni, Cu, Zn)

2. The direct CI method

3. Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals

4. Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

5. Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

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