A combined theoretical and experimental approach to determine the right choice of co-ligand to impart spin crossover in Fe(ii) complexes based on 1,3,4-oxadiazole ligands

Author:

Sundaresan Sriram1ORCID,Eppelsheimer Julian1,Gera Esha2,Wiener Lukas1,Carrella Luca M.1ORCID,Vignesh Kuduva R.2ORCID,Rentschler Eva1ORCID

Affiliation:

1. Department Chemie, Johannes-Gutenberg-Universität Mainz, Duesbergweg 10–14, 55128 Mainz, Germany

2. Department of Chemical Scienaces, Indian Institute of Science Education Research (IISER) Mohali, Sector-81, Knowledge City, S.A.S. Nagar, Mohali 140306, Punjab, India

Abstract

It is discussed why for the Fe(ii) complexes [Fe(LTetra-Py/Ph-ODA)(NCE)] with E = S, Se and BH3 only the latter revealed SCO.

Funder

Johannes Gutenberg-Universität Mainz

Council of Scientific and Industrial Research, India

University Grants Commission

Science and Engineering Research Board

Publisher

Royal Society of Chemistry (RSC)

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