The geometric and magnetic properties of the endohedral plumbaspherene M@Pb12 clusters (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni)

Chen, Xuan; Deng, Kuan; Liu, Yuzhen; Tang, Chunmei; Yuan, Yongbo; Hu, Fu-Gang; Wu, Haiping; Huang, Decai; Tan, Weishi; Wang, Xin

doi:10.1016/j.cplett.2008.07.095

Cited by 27 publications

(17 citation statements)

References 41 publications

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“…[24][25][26][27][28][29] Such clusters when doped with atoms or ions have been known to display useful electronic, magnetic and chemical properties including catalytic activity. [30][31][32] Apart from clusters of carbon, other elements have since evolved in the emerging field of cluster research. Several of these have been theoretically been conceived and a subset of these has been experimentally synthesised.…”

Section: Choosing Encapsulated Clusters Of Tin and Lead As Model Systemsmentioning

confidence: 99%

“…33,34,61 Metal encapsulated various 13-atom clusters with closed-shell configurations have been shown experimentally and theoretically to possess an icosahedral structure as their ground state geometry. 30,38,39,41,42,62,63 The addition or removal of electrons to this closed-shell configuration of the clusters reduces the symmetry. 53,64 We have predicted various structures for the metal-doped clusters in different oxidation states.…”

Section: -mentioning

confidence: 99%

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On the position of La, Lu, Ac and Lr in the periodic table: a perspective

2019

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The periodic table of elements, organised as blocks of elements that contain similar properties, occupies a central role in chemistry. However, the position of some of the elements in the periodic table is a debate that has been ensuing over the past one and a half long centuries. Particularly, the positions of lanthanum (La), lutetium (Lu), actinium (Ac) and lawrencium (Lr) in the periodic table have been quite controversial. Different kinds of studies carried out by various research groups have yet left the fate of these elements undecided as the results of these investigations suggested that these elements could potentially be placed in the d-block, p-block or all four in the f-block. Our recent work looked into this question from a new perspective, involving encapsulation of La, Lu, Ac and Lr into Zintl ion clusters, Pb 12 2and Sn 12 2-. These clusters were chosen as they provide a fitting environment for the determination of structural, thermodynamic and electronic properties of the encapsulated species. Various results that have been evaluated and subsequently analysed (Joshi et al. in Phys. Chem. Chem. Phys. 20:15253-15272, 2018) in order to seek out similarities and differences for making justified conclusions about the placement of all these four elements in the periodic table are the subject matter of this review article.

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Section: Choosing Encapsulated Clusters Of Tin and Lead As Model Systemsmentioning

confidence: 99%

Section: -mentioning

confidence: 99%

On the position of La, Lu, Ac and Lr in the periodic table: a perspective

2019

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“…[23] The list of endohedral stannaspherene and plumbaspherene clusters that were subjected to these studies comprises clusters with encapsulated main-group metals, with [Al@Pb 12 ] + probably being the most prominent example, [24] numerous d-block transition-metal-atom-centered Sn 12 and Pb 12 clusters, [23,25] and various endohedral clusters containing f-block element atoms. In the case of centered plumbaspherenes, detailed theoretical studies have been performed even for species featuring centered actinide atoms such as Pu.…”

Section: A C H T U N G T R E N N U N G [Hgge 9 ]mentioning

confidence: 99%

Step‐by‐Step Synthesis of the Endohedral Stannaspherene [Ir@Sn₁₂]³⁻ via the Capped Cluster Anion [Sn₉Ir(cod)]³⁻

Wang

Stegmaier

Wahl

et al. 2010

Chemistry A European J

135

137

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The endohedral stannaspherene cluster anion [Ir@Sn(12)](3-) was synthesized in two steps. The reaction of K(4)Sn(9) with [IrCl(cod)](2) (cod: 1,5-cyclooctadienyl) in ethylenediamine (en) solution first yielded the [K(2,2,2-crypt)](+) salt (2,2,2-crypt: 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane) of the capped cluster anion [Sn(9)Ir(cod)](3-). Subsequently, crystals of this compound were dissolved in en, followed by the addition of triphenylphosphine or 1,2-bis(diphenylphosphino)ethane and treatment at elevated temperatures. [Ir@Sn(12)](3-) was obtained and characterized as the [K(2,2,2-crypt)](+) salt. The isolation of [Sn(9)Ir(cod)](3-) as an intermediate product establishes that the formation of the stannaspherene [Ir@Sn(12)](3-) occurs through the oxidation of [Sn(9)Ir(cod)](3-). Among the structurally characterized tetrel cluster anions, [Ir@Sn(12)](3-) is a unique example of a stannaspherene, and one of the rare spherical clusters encapsulating a metal atom that is not a member of Group 10. Single-crystal structure determination shows that the novel Zintl ion cluster has nearly perfect icosahedral I(h) point symmetry.

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“…The first such endohedrally doped cluster was La@C 60 , which was discovered by Heath et al in 1985; [3] since then many other carbon fullerene endohedral clusters have been characterized. [4][5][6] Endohedral hollow clusters of elemental metals, such as M@Au n cages, [7][8][9][10] endohedrally doped plumbaspherene TM@Pb 12 À cages, [11] and endohedrally doped stannaspherene TM@Sn 12 À cages, which have been seen to exist in gas phase for a large number of transition metals (TMs), [12] have also been synthesized. Additionally, a neutral Mn@Sn 12 endohedral compound has been predicted to exist [13] and it could be assembled to build antiferromagnetic or ferromagnetic materials.…”

Section: Introductionmentioning

confidence: 99%

Thermally Stable Solids Based on Endohedrally Doped ZnS Clusters

Matxain

Piris

López

et al. 2009

Chemistry A European J

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The existence of inorganic, hollow, fullerene-like ZnS clusters has been theoretically predicted and then recently confirmed experimentally. These clusters were observed to trap alkali metals and halogens because the ionization energies (IE) of alkali metals are very similar to the electron affinities (EA) of halogens. This opens the possibility of forming molecular solids composed of these fullerene building blocks because the energy released due to the difference between the IE and EA would be very small. Herein we have focused on assembling bare Zn(12)S(12) and endohedral X@Zn(12)S(12)-Y@Zn(12)S(12) dimers (X = Na, K; Y = Cl, Br) by considering the square-faces-square orientation of every two adjacent clusters, which leads to a fcc cubic crystal structure in the solid. The structures were fully optimized in all cases, and their thermal stability was confirmed by ab initio thermal molecular dynamics calculations. The optimum lattice parameter of the solids was found to be around 13.8 A, which corresponds to distances of about 2.5 A between monomers, which is typical of covalent Zn-S bonds. The resulting solids are nanoporous materials similar to B(12)N(12). Due to their nanoporous structure, these zeolite-shaped solids could be used in heterogeneous catalysis and as storage materials and molecular sieves.

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The geometric and magnetic properties of the endohedral plumbaspherene M@Pb12 clusters (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni)

Cited by 27 publications

References 41 publications

On the position of La, Lu, Ac and Lr in the periodic table: a perspective

On the position of La, Lu, Ac and Lr in the periodic table: a perspective

Step‐by‐Step Synthesis of the Endohedral Stannaspherene [Ir@Sn₁₂]³⁻ via the Capped Cluster Anion [Sn₉Ir(cod)]³⁻

Thermally Stable Solids Based on Endohedrally Doped ZnS Clusters

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The geometric and magnetic properties of the endohedral plumbaspherene M@Pb12 clusters (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni)

Cited by 27 publications

References 41 publications

On the position of La, Lu, Ac and Lr in the periodic table: a perspective

On the position of La, Lu, Ac and Lr in the periodic table: a perspective

Step‐by‐Step Synthesis of the Endohedral Stannaspherene [Ir@Sn12]3− via the Capped Cluster Anion [Sn9Ir(cod)]3−

Thermally Stable Solids Based on Endohedrally Doped ZnS Clusters

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Step‐by‐Step Synthesis of the Endohedral Stannaspherene [Ir@Sn₁₂]³⁻ via the Capped Cluster Anion [Sn₉Ir(cod)]³⁻