Neutron Instruments for Research in Coordination Chemistry

Chen, Xue-Tai; Ramirez‐Cuesta, Anibal J.; Brown, Craig M.; Calder, Stuart; Cao, Huibo; Chakoumakos, Bryan C.; Daemen, Luke L.; Huq, Ashfia; Kolesnikov, A. I.; Mamontov, Eugene; Podlesnyak, A.; Wang, Xiaoping

doi:10.1002/ejic.201801076

Cited by 31 publications

(68 citation statements)

References 223 publications

(156 reference statements)

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“…The orientation of the two large single crystals (8×3.25×2 mm 3 , 100.1 mg and 8×2.75×1 mm 3 , 80.0 mg; photos of the crystals in Figure S1) of 1 used in the INS studies were also determined by using TOPAZ . Large single crystals are desirable for INS studies inside magnetic fields.…”

Section: Resultsmentioning

confidence: 99%

“…In addition, such large crystals would have significant X‐ray absorption in diffraction experiments, affecting measured diffraction intensities and causing errors in the structure determined by X‐ray diffraction. Thus, neutron diffraction of 1 was conducted as TOPAZ was capable of handling such large crystals …”

Section: Resultsmentioning

confidence: 99%

“…In neutron scattering processes, the incident neutrons penetrate a sample and are scattered from interactions with either atomic nuclei or unpaired electrons in the sample . The scattering by unpaired electrons is from the magnetic interactions between neutron spins and electron spins, and is called magnetic scattering.…”

Section: Resultsmentioning

confidence: 99%

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Spectroscopic Studies of the Magnetic Excitation and Spin‐Phonon Couplings in a Single‐Molecule Magnet

Stavretis

Moseley

Fei

et al. 2019

Chemistry A European J

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Large separations between ground and excited magnetic states in single‐molecule magnets (SMMs) are desirable to reduce the likelihood of spin reversal in the molecules. Spin‐phonon coupling is a process leading to magnetic relaxation. Both the reversal and coupling, making SMMs lose magnetic moments, are undesirable. However, direct determination of large magnetic states separations (>45 cm−1) is challenging, and few detailed investigations of the spin‐phonon coupling have been conducted. The magnetic separation in [Co(12‐crown‐4)2](I3)2(12‐crown‐4) (1) is determined and its spin‐phonon coupling is probed by inelastic neutron scattering (INS) and far‐IR spectroscopy. INS, using oriented single crystals, shows a magnetic transition at 49.4(1.0) cm−1. Far‐IR reveals that the magnetic transition and nearby phonons are coupled, a rarely observed phenomenon, with spin‐phonon coupling constants of 1.7–2.5 cm−1. The current work spectroscopically determines the ground–excited magnetic states separation in an SMM and quantifies its spin‐phonon coupling, shedding light on the process causing magnetic relaxation.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Spectroscopic Studies of the Magnetic Excitation and Spin‐Phonon Couplings in a Single‐Molecule Magnet

Stavretis

Moseley

Fei

et al. 2019

Chemistry A European J

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“…In 2016, Waldmann et al surveyed aspects related to determination of exchange coupling in lanthanoid systems by INS . More recently, the use of neutron scattering techniques for the study of coordination complexes was reviewed by Xue et al The scope of the present Minireview is to survey more broadly the employment of INS to elucidate the electronic structure of molecular lanthanoid complexes and Ln‐SMMs.…”

Section: Introductionmentioning

confidence: 99%

Inelastic Neutron Scattering of Lanthanoid Complexes and Single‐Molecule Magnets

2019

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Single‐molecule magnets (SMMs) are discrete metal complexes that retain their magnetisation below a certain temperature, with possible applications in quantum information processing, molecular spintronics and high‐density data storage. Complexes of lanthanoid(III) ions have proven highly successful in the field, some exhibiting magnetic hysteresis at liquid nitrogen temperatures. Inelastic neutron scattering (INS), widely used for the study of the crystal field splitting engendered by the coordination environment of metal centres, can afford a wealth of information when applied to the study of these molecular nanomagnets, as the SMM properties arise from the electronic structure of the lanthanoid(III) ions. Although relatively underutilised to date, INS can be employed alongside crystal field analysis, and/or ab initio calculations, to understand how subtle structural changes impact SMM behaviour. In this Minireview we discuss the application of INS to the study of lanthanoid complexes, to elucidate both crystal field splitting and exchange coupling in coupled metal‐radical and metal‐metal SMMs.

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“…For newcomers to the concept of neutron scattering in coordination chemistry, an excellent introduction is provided in the contribution by Xue et al, who give a contemporary review of the techniques available and the types of instrumentation and measurements achievable. They further provide insight into how these techniques can be employed for the advanced characterization of coordination complexes.…”

mentioning

confidence: 99%