Kulmaczewski, R orcid.org/0000-0002-3855-4530, Howard, MJ orcid.org/0000-0002-0762-2887 and Halcrow, M orcid.org/0000-0001-7491-9034 (2021) Influence of Ligand Substituent Conformation on the Spin State of an Iron(II)/Di(pyrazol-1-yl)pyridine Complex. Dalton Transactions. ISSN 1477-9226
Abstract
The temperature of the solution-phase spin-crossover equilibrium in iron(II) complexes of 4-alkylsulfanyl-2,6-di{pyrazol-1-yl}pyridine (bppSR) complexes depends strongly on the alkylsulfanyl substituent. DFT calculations imply this reflects the conformation of the alkylsulfanyl groups, which lie perpendicular to the heterocyclic ligand donors in [Fe(bppStBu)2] 2+ but are oriented coplanar with the ligand core for smaller SR substituents.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | Protected by copyright. This is an author produced version of a paper published in Dalton Transactions. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) > Inorganic Chemistry (Leeds) |
Funding Information: | Funder Grant number EPSRC (Engineering and Physical Sciences Research Council) EP/K012568/1 |
Depositing User: | Symplectic Publications |
Date Deposited: | 03 Mar 2021 13:37 |
Last Modified: | 08 Jan 2025 14:36 |
Status: | Published online |
Publisher: | Royal Society of Chemistry (RSC) |
Identification Number: | 10.1039/d1dt00590a |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:171650 |