How Do Heavier Halide Ligands Affect the Signs and Magnitudes of the Zero-Field Splittings in Halogenonickel(II) Scorpionate Complexes? A Theoretical Investigation Coupled to Ligand-Field Analysis-Reference-Cited by-同舟云学术

How Do Heavier Halide Ligands Affect the Signs and Magnitudes of the Zero-Field Splittings in Halogenonickel(II) Scorpionate Complexes? A Theoretical Investigation Coupled to Ligand-Field Analysis

Published:2012-06-12 Issue:7 Volume:8 Page:2344-2351
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ye Shengfa¹,Neese Frank¹

Affiliation:

1. Max-Planck Institute for Bioinorganic Chemistry, Stiftstrasse 34-36, D-45470 Mülheim an der Ruhr, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300237f

Reference93 articles.

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2. bSingle-Molecule Magnets and Related Phenomena. Structure and Bonding;Winpenny, R., Ed.Springer:Berlin, 2006; Vol.122, pp1–262.

3. A Criterion for the Anisotropy Barrier in Single-Molecule Magnets

4. What is not required to make a single molecule magnet

5. Lanthanide Double-Decker Complexes Functioning as Magnets at the Single-Molecular Level

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