How can [MoIV(CN)6]2−, an apparently octahedral (d)2complex, be diamagnetic? Insights from quantum chemical calculations and magnetic susceptibility measurements-Reference-Cited by-同舟云学术

How can [MoIV(CN)6]2−, an apparently octahedral (d)2complex, be diamagnetic? Insights from quantum chemical calculations and magnetic susceptibility measurements

Published:2015 Issue:22 Volume:17 Page:14890-14902
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Radoń Mariusz¹²³⁴,Rejmak Paweł⁵⁶⁷⁴⁸,Fitta Magdalena⁹⁶³⁴,Bałanda Maria⁹⁶³⁴,Szklarzewicz Janusz¹²³⁴

Affiliation:

1. Department of Chemistry

2. Jagiellonian University in Kraków

3. Kraków

4. Poland

5. Institute of Physics

6. Polish Academy of Sciences

7. Warsaw

8. Donostia International Physics Center

9. Institute of Nuclear Physics

Abstract

[Mo(CN)₆]²⁻is computationally predicted to be a trigonal prismatic complex with closely-lying singlet (S= 0) and triplet (S= 1) spin states.

Funder

European Cooperation in Science and Technology

Foundation For Polish Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP04863F

Reference72 articles.

1. Spin states of (bio)inorganic systems: Successes and pitfalls

2. Accurate Spin-State Energies for Iron Complexes

3. Transition metal spin state energetics and noninnocent systems: challenges for DFT in the bioinorganic arena

4. DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds

5. Revisiting the role of exact exchange in DFT spin-state energetics of transition metal complexes

Cited by 10 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Heteroleptic Transition Metal Complexes of Eflornithine Hydrochloride Monohydrate: Synthesis, Characterization, in silico and in vitro Biological Studies;Journal of the Turkish Chemical Society Section A: Chemistry;2022-11-02

2. Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C_4n rings;The Journal of Chemical Physics;2022-06-14

3. Heptacoordinated W(IV) Cyanido Supramolecular Complex Trapped by Photolysis of a [W(CN)6(bpy)]2–/Zn2+ System;Crystal Growth & Design;2020-11-13

4. Dealing with Spin States in Computational Organometallic Catalysis;New Directions in the Modeling of Organometallic Reactions;2020

5. Ultrafast electronic relaxations from the S3 state of pyrene;Physical Chemistry Chemical Physics;2019