Halogenated alkyltetrazoles for the rational design of Fe^II spin-crossover materials

Autor(en)

Daniel Müller, Christian Knoll, Marco Seifried, Jan M. Welch, Gerald Giester, Michael Reissner, Peter Weinberger

Abstrakt

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(en)

Institut für Mineralogie und Kristallographie

Externe Organisation(en)

Technische Universität Wien

Journal

Chemistry: A European Journal

Band

24

Seiten

5271-5280

Anzahl der Seiten

10

ISSN

0947-6539

DOI

https://doi.org/10.1002/chem.201704656

Publikationsdatum

01-2017

Peer-reviewed

Ja

ÖFOS 2012

104015 Organische Chemie, 104017 Physikalische Chemie, 105113 Kristallographie

Schlagwörter

ASJC Scopus Sachgebiete

Catalysis, Organic Chemistry

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/c65e77bd-da12-41c3-b35c-bc07704dc467