Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(II)-1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane system
- Author(s)
- Christian Knoll, Danny Müller, Marco Seifried, Gerald Giester, Jan M. Welch, Werner Artner, Klaudia Hradil, Michael Reissner, Peter Weinberger
- Abstract
Criteria for a technologically relevant spin crossover (SCO) material include temperature and abruptness. A series of Fe(ii) - 1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane SCO complexes with various anions (BF4-, ClO4-, and PF6-) designed using a structure-property based concept is reported. All complexes feature abrupt SCO-behavior with T-1/2 between 170 K and 187 K. These materials demonstrate that without stabilizing the effects of incorporated solvents or a hydrogen bond-network, the observed cooperativity during high-spin-low-spin transition is anion independent and originates only from the rigidity and internal strain of the propellane-moiety in the ligand. Spectroscopy and structural investigations of these materials are supported by quantum chemical calculations.
- Organisation(s)
- Department of Mineralogy and Crystallography
- External organisation(s)
- Technische Universität Wien
- Journal
- Dalton Transactions
- Volume
- 47
- Pages
- 5553-5557
- No. of pages
- 5
- ISSN
- 1477-9226
- DOI
- https://doi.org/10.1039/c8dt00781k
- Publication date
- 04-2018
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104015 Organic chemistry, 104017 Physical chemistry, 105113 Crystallography
- Keywords
- ASJC Scopus subject areas
- Inorganic Chemistry
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/8cb234c1-8d8e-488d-a81c-e263341e7d96