Assessment of Several DFT Functionals in Calculation of the Reduction Potentials for Ni–, Pd–, and Pt–Bis-ethylene-1,2-dithiolene and -Diselenolene Complexes-Reference-Cited by-同舟云学术

Assessment of Several DFT Functionals in Calculation of the Reduction Potentials for Ni–, Pd–, and Pt–Bis-ethylene-1,2-dithiolene and -Diselenolene Complexes

Published:2015-01-27 Issue:5 Volume:119 Page:911-918
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bushnell Eric A. C.¹,Boyd Russell J.¹

Affiliation:

1. Department of Chemistry, Dalhousie University, Halifax, Nova Scotia B3H 4R2, Canada

Funder

Natural Sciences and Engineering Research Council of Canada

Killam Trusts

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp511350z

Reference73 articles.

1. Metal 1,2-Dithiolene and Related Complexes

2. Luminescence and Photochemistry of Metal Dithiolene Complexes

3. Charge-transfer in ion pairs: design of photoreactivity in solution and electrical dark- and photoconductivity in the solid

4. Paramagnetic Cp/Dithiolene Complexes as Molecular Hinges: Interplay of Metal/Ligand Electronic Delocalization and Solid-State Magnetic Behavior

5. Intermolecular interactions in the molecular ferromagnetic NH4Ni(mnt)2· H2O

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