Structures and Ionization Energies of Cobalt-Benzene Clusters (Con(benzene)m)

Kurikawa, Tsuyoshi; Hirano, Masaaki; Takeda, Hiroaki; Yagi, Keiichi; Hoshino, Kuniyoshi; Nakajima, Atsushi; Kaya, Kunimitsu

doi:10.1021/j100044a008

Cited by 76 publications

(104 citation statements)

References 4 publications

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“…We note that magnetic impurity placed at the ring center is an idealization, the only condition for the practical relevance of our model requires impurity in the vicinity of the benzene ring, which induces the spin-spin exchange interaction. Such structures have been studied both experimentally 68,69 and theoretically.…”

Section: -51mentioning

confidence: 99%

Spin inelastic currents in molecular ring junctions

Rai

Galperin

2012

Phys. Rev. B

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Within a simple model we discuss spin inelastic currents in molecular ring junctions. We generalize considerations of the spin-flip inelastic electron tunneling spectroscopy (IETS) to the case of multi-site molecular system, and formulate a conserving approximation, which takes into account renormalization of elastic channel. We also extend recent studies of circular currents in molecular junctions beyond scattering theory formulation. We demonstrate control of the spin-flip IETS signal and discuss spin polarization of total and circular currents in a benzene ring junction.

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Section: -51mentioning

confidence: 99%

Spin inelastic currents in molecular ring junctions

Rai

Galperin

2012

Phys. Rev. B

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“…Our recent development of methodology combining a laser-vaporization method and a molecular beam method has opened up a new way for facile investigation of organometallic clusters [8,9]. In the gas phase, it is possible to understand a metal-molecule interaction without a Corresponding author.…”

Section: Introductionmentioning

confidence: 99%

Generation and electronic properties of lanthanide–cyclooctatetraene organometallic clusters in gas phase

Kurikawa¹,

Hayakawa²,

Nagao³

et al. 1999

Eur. Phys. J. D

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Organometallic clusters of lanthanide (Ln = Nd, Er, Eu, and Yb) and 1,3,5,7-cyclooctatetraene (C 8 H 8 ) were produced by a combination of laser vaporization and molecular beam methods. In the mass spectra of [Lnn(C 8 H 8 )m], compositions of m = n + 1 were magic numbers. From mass spectrometry, photoionization spectroscopy, and photoelectron spectroscopy, we have concluded that these magic-numbered clusters take multiple-decker sandwich structures in which Ln atoms and C 8 H 8 molecules are alternatedly piled up. These sandwich clusters are formed through ionic bonds composed of multiply charged cations [Ln k+ (k = 2 and 3)] and multiply charged anions [C 8 H h− 8 (h = 1, 1.5, and 2)].PACS. 36.40.-c Atomic and molecular clusters -36.40.Mr Spectroscopy and geometrical structure of clusters -61.46.+w Clusters, nanoparticles, and nanocrystalline materials -71.24.+q Electronic structure of clusters and nanoparticles

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“…Experimental results suggest that clusters of late transition metals fully saturated with benzene molecules are stable π-complexes that are not very reactive. [17][18][19] Rather than having the metal center(s) sandwiched between benzene rings, as was typical in early transition metal complexes, [17][18][19][20] the cobalt centers in cobalt-benzene (Co-Bz) clusters are close together, forming an inner metallic cluster bound through π-bonds to benzene molecules around the cluster, commonly called rice-ball configuration.…”

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confidence: 99%

“…It should be noted that Co 3 Bz 3 clusters have been found to be more stable and abundant than other sizes, a fact that can be analyzed by mass spectrometry. [17][18][19][20] In our study we explore both the collinear and non-collinear magnetic orders. We used several density functional theory (DFT) approaches.…”

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confidence: 99%

Complex magnetic orders in small cobalt–benzene molecules

González

Alonso-Lanza

Delgado

et al. 2017

Phys. Chem. Chem. Phys.

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Organometallic clusters based on transition metal atoms are interesting because possible applications in spintronics and quantum information. In addition to the enhanced magnetism at the nanoscale, the organic ligands may provide a natural shield again unwanted magnetic interactions with the matrices required for applications. Here we show that the organic ligands may lead to non-collinear magnetic order as well as the expected quenching of the magnetic moments. We use different density functional theory (DFT) methods to study the experimentally relevant three cobalt atoms surrounded by benzene rings (Co3Bz3). We found that the benzene rings induce a ground state with non-collinear magnetization, with the magnetic moments localized on the cobalt centers and lying on the plane formed by the three cobalt atoms. We further analyze the magnetism of such a cluster using an anisotropic Heisenberg model where the involved parameters are obtained by a comparison with the DFT results. These results may also explain the recent observation of null magnetic moment of Co3Bz + 3 . Moreover, we propose an additional experimental verification based on electron paramagnetic resonance.

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Structures and Ionization Energies of Cobalt-Benzene Clusters (Con(benzene)m)

Cited by 76 publications

References 4 publications

Spin inelastic currents in molecular ring junctions

Spin inelastic currents in molecular ring junctions

Generation and electronic properties of lanthanide–cyclooctatetraene organometallic clusters in gas phase

Complex magnetic orders in small cobalt–benzene molecules

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