Nuclear inelastic scattering studies of a 1D- polynuclear spin crossover complex of Fe(II) urea-triazoles

Wolny JA, Sakshath S, Jenni K, Scherthan L, Auerbach H, Wille HC, Li AM, Von Malotki C, Rentschler E, Schuenemann V (2018)

Publication Type: Journal article

Publication year: 2018

Journal

Hyperfine Interactions Springer Verlag (Germany)

Book Volume: 239

Article Number: 22

Journal Issue: 1

DOI: 10.1007/s10751-018-1496-0

Abstract

The partial density of vibrational states (pDOS) of the low-spin isomer of the tosylate salt of [Fe{(N-Propyl)-N′-(1,2,4-triazole-4-yl-urea)}3]2+ was determined by nuclear inelastic scattering experiments performed at 8 K. The pDOS features a rich band structure from 320 to 500 cm−1, characteristic of the low spin state of the complex. Density functional theory calculations (B3LYP/CEP-31G) were used to assign molecular modes to the experimentally observed peak in the pDOS.

Involved external institutions

Technische Universität Kaiserslautern DE Germany (DE) Deutsches Elektronen-Synchrotron DESY DE Germany (DE) Johannes Gutenberg-Universität Mainz (JGU) DE Germany (DE)

How to cite

APA:

Wolny, J.A., Sakshath, S., Jenni, K., Scherthan, L., Auerbach, H., Wille, H.-C.,... Schuenemann, V. (2018). Nuclear inelastic scattering studies of a 1D- polynuclear spin crossover complex of Fe(II) urea-triazoles. Hyperfine Interactions, 239(1). https://doi.org/10.1007/s10751-018-1496-0

MLA:

Wolny, J. A., et al. "Nuclear inelastic scattering studies of a 1D- polynuclear spin crossover complex of Fe(II) urea-triazoles." Hyperfine Interactions 239.1 (2018).

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