Halogenated alkyltetrazoles for the rational design of Fe<sup>II</sup> spin-crossover materials
- Author(s)
- Daniel Müller, Christian Knoll, Marco Seifried, Jan M. Welch, Gerald Giester, Michael Reissner, Peter Weinberger
- Abstract
1-(3-Halopropyl)-1H-tetrazoles and their corresponding Fe-II spin-crossover complexes have been investigated in a combined experimental and theoretical study. Halogen substitution was found to positively influence the spin transition, shifting the transition temperature about 70K towards room temperature. Halogens located at the position were found to be too far away from the coordinating tetrazole moiety to have an electronic impact on the spin transition. The subtle variation of the steric demand of the ligand in a highly comparable series was found to have a comparatively large impact on the spin-transition behavior, which highlights the sensitivity of the effect to subtle structural changes.
- Organisation(s)
- Department of Mineralogy and Crystallography
- External organisation(s)
- Technische Universität Wien
- Journal
- Chemistry: A European Journal
- Volume
- 24
- Pages
- 5271-5280
- No. of pages
- 10
- ISSN
- 0947-6539
- DOI
- https://doi.org/10.1002/chem.201704656
- Publication date
- 01-2017
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104015 Organic chemistry, 104017 Physical chemistry, 105113 Crystallography
- Keywords
- ASJC Scopus subject areas
- Catalysis, Organic Chemistry
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/c65e77bd-da12-41c3-b35c-bc07704dc467