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Synthesis and Characterization of Ternary Clusters Containing the [As16]10– Anion, [MM′As16]4– (M = Nb or Ta; M′ = Cu or Ag)

Autor: Zhang, W-Q, Morgan, HWT, Shu, C-C, McGrady, JE, Sun, Z-M

Publikováno v: Inorganic Chemistry. 61:4421-4427

The [Nb@As8]3–anion was first isolated from solution in 1986, and a number of isostructural [M@Pn8]n−clusters (M = Nb, Cr, or Mo; Pn = As or Sb;n= 2 or 3) have since been reported. We show here how anions of this class can be used as synthetic pr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2d22d712da65f5ba86a87b1ac483e28
https://doi.org/10.1021/acs.inorgchem.1c03940

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Synthesis and characterisation of the ternary intermetalloid clusters {M@[As8(ZnMes)4]}3− (M = Nb, Ta) from binary [M@As8]3− precursors

Autor: Zhang, W-Q, Morgan, HWT, McGrady, JE, Sun, Z-M

Publikováno v: Chemical Science. 13:6744-6748

The development of rational synthetic routes to inorganic arsenide compounds is an important goal because these materials are finding applications in many areas of materials science. In this paper, we show that the binary crown clusters [M@As8]3−(M

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f282672c37497243186905e4954dda2
https://doi.org/10.1039/d2sc01748b

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Mn2 Dimers Encapsulated in Silicon Cages: A Complex Challenge to MC-SCF Theory

Autor: Khanna, V, McGrady, JE

Publikováno v: Molecules; Volume 27; Issue 21; Pages: 7544

MC-SCF wavefunctions for three endohedral Mn/Si clusters, Mn2Si10, Mn2Si12, and [Mn2Si13]+, show evidence for strong static correlation, both in the Mn-Si bonds (‘in–out correlation’) and between the two Mn centers (‘up–down correlation’)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d03352172784a926b09ba55ce9ef9c92

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High- vs. low-spin Ni2+ in elongated octahedral environments: Sr2NiO2Cu2Se2, Sr2NiO2Cu2S2 and Sr2NiO2Cu2(Se1-xSx)2

Autor: Smyth, RD, Blandy, JN, Yu, Z, Liu, S, Topping, CV, Cassidy, SJ, Smura, CF, Woodruff, DN, Manuel, P, Bull, CL, Funnell, NP, Ridley, CJ, McGrady, JE, Clarke, SJ

Sr2NiO2Cu2Se2, comprising alternating [Sr2NiO2]2+and [Cu2Se2]2–layers, is reported. Powder neutron diffraction shows that the Ni2+ions, which are in a highly elongated NiO4Se2environment with D4hsymmetry, adopt a high-spin configuration and carry l

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______1064::3a89e26b4602ec9cf5135d96befbc93f
https://doi.org/10.1021/acs.chemmater.2c02002

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Evolution of Vibrational Spectra in the Manganese-Silicon Clusters Mn2Sin, n=10, 12, and 13, and Cationic [Mn2Si13](+)

Autor: Khanna, V, Singh, R, Claes, P, Nguyen, MT, Fielicke, A, Janssens, E, Lievens, P, McGrady, JE

Publikováno v: The Journal of Physical Chemistry A

A comparison of DFT-computed and measured infrared spectra reveals the ground state structures of a series of gas-phase silicon clusters containing a common Mn2 unit. Mn2Si12 and [Mn2Si13]+ are both axially symmetric, allowing for a clean separation

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::89862e8dc28bddc13943acb005a46aec
https://lirias.kuleuven.be/handle/20.500.12942/699135

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[Cu4@E18]4– (E = Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene

Autor: Qiao, L, Zhang, C, Shu, C-C, Morgan, HWT, McGrady, JE, Sun, Z-M

Publikováno v: Journal of the American Chemical Society. 142:13288-13293

We report the synthesis of two new cluster anions, [Cu4@E18]4–(E = Sn, Pb), in which a Cu4subunit is incorporated into a continuous E18tetrel cage. Both anions are characterized by X-ray crystallography and mass spectrometry, complemented by quantu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85cce16d455692de46ca3e3ef66d2851
https://doi.org/10.1021/jacs.0c04815

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Crystal and magnetic structures of the Ir(V) JeffIr = 0 double perovskite LaSrNiIrO6

Autor: Martínez de Irujo-Labalde, X, Page, JE, Morgan, HWT, McGrady, JE, Hayward, MA

Publikováno v: Journal of Solid State Chemistry. 315:123477

LaSrNiIrO6 adopts a B-site cation-ordered double perovskite structure with a strong a–a–c+ cooperative tilting distortion (space group P21/n a = 5.5931(1) Å, b = 5.5676(1) Å, c = 7.8850(1) Å, β = 90.01(1) o). Mag

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c71781a58db6f598dfff8a8223c431ab
https://doi.org/10.1016/j.jssc.2022.123477

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A family of lead clusters with precious metal cores

Autor: Shu, C-C, Morgan, HWT, Qiao, L, McGrady, JE, Sun, Z-M

Publikováno v: Nature Communications
Nature Communications, Vol 11, Iss 1, Pp 1-9 (2020)

Gold nanoparticles have been used for centuries, both for decoration and in medical applications. More recently, many of the major advances in cluster chemistry have involved well-defined clusters containing tens or hundreds of atoms, either with or

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cb0f38558e7aa997e64564412bcc524f
https://doi.org/10.1038/s41467-020-17187-4

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Structure and Bonding in [Sb@In8Sb12]3− and [Sb@In8Sb12]5−

Autor: Liu, C, Tkachenko, NV, Popov, IA, Fedik, N, Min, X, Xu, C-Q, Li, J, McGrady, JE, Boldyrev, AI, Sun, Z-M

Publikováno v: Angewandte Chemie International Edition. 58(25)

We report the characterization of the compound [K([2.2.2]crypt)]4 [In8 Sb13 ], which proves to contain a 1:1 mixture of [Sb@In8 Sb12 ]3- and [Sb@In8 Sb12 ]5- . The tri-anion displays perfect Th symmetry, the first completely inorganic molecule to do

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::24ac6793b1e16c49620165aa70725f6b
http://ora.ox.ac.uk/objects/uuid:

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