Recent progress in the chemistry of anionic groups 6–8 carbonyl chalcogenide clusters

Shieh, Minghuey; Miu, Chia Yeh; Chu, Yen Yi; Lin, Chien Nan

doi:10.1016/j.ccr.2011.11.010

Cited by 67 publications

(13 citation statements)

References 495 publications

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“…The cluster series will be S=4n-2(n=8), Cp=C 1 +C 1 =C 2 C[M-6]. The ideal skeletal shape is a bi-capped octahedron and geometry has been observed (Shieh, et al, 2012). The valence electron content, Ve=4n-2=4(8)-2=30.…”

Section: Capping and De-capping Seriesmentioning

confidence: 99%

A Hypothetical Model for the Formation of Transition Metal Carbonyl Clusters Based upon 4n Series Skeletal Numbers

Kiremire¹

2016

IJC

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Skeletal numbers of elements have been introduced as derivatives of the 4n series method. They are based on the number of valence electrons present in the skeletal element. They are extremely useful in deducing possible shapes of skeletal elements in molecules or clusters especially the small to medium ones. For large skeletal clusters, the skeletal numbers may simply be regarded as identity numbers. In carbonyl clusters, they can be used as a guide to facilitate the distribution of the ligands such as CO, H and charges onto the skeletal atoms. A naked skeletal cluster may be viewed as a reservoir for skeletal linkages which get utilized when ligands or electrons get bound to it. The sum of linkages used up by the ligands bound to a skeletal fragment and the remaining cluster skeletal numbers is equal to the number of the skeletal linkages present in the original "naked parent" skeletal cluster. The skeletal numbers can be used as a quick way of testing whether or not a skeletal atom obeys the 8-or 18-electron rules.

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Section: Capping and De-capping Seriesmentioning

confidence: 99%

A Hypothetical Model for the Formation of Transition Metal Carbonyl Clusters Based upon 4n Series Skeletal Numbers

Kiremire¹

2016

IJC

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“…Iron-sulfur cluster complexes have attracted considerable attention, not only because of their fascinating chemistry (Song, 2005;Shieh et al, 2012) but also for their ability to act as electron reservoirs, their potential as catalysts and their practical applications as biomimetic models for the active sites of Fe-Fe hydrogenases (Capon et al, 2009;Taylor et al, 2011;Wang et al, 2010). However, to date, few efficient electrocatalysts have been obtained and the mechanism of the natural production and uptake of hydrogen remains unclear.…”

Section: Introductionmentioning

confidence: 99%

Two Fe₃(μ₃-S)₂(CO)₈clusters with terminal N-heterocyclic carbenes

Yang¹,

Fu²,

Zhao³

et al. 2014

Acta Crystallogr C

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The title compounds with terminal N-heterocyclic carbenes, namely octacarbonyl(imidazolidinylidene-κC(2))di-μ3-sulfido-triiron(II)(2 Fe-Fe), [Fe3(C3H6N2)(μ3-S)2(CO)8], (I), and octacarbonyl(1-methylimidazo[1,5-a]pyridin-3-ylidene-κC(3))di-μ3-sulfido-triiron(II)(2 Fe-Fe), [Fe3(C8H8N2)(μ3-S)2(CO)8], (II), have been synthesized. Each compound contains two Fe-Fe bonds and two S atoms above and below a triiron triangle. One of the eight carbonyl ligands deviates significantly from linearity. In (I), dimers generated by an N-H···S hydrogen bond are linked into [001] double chains by a second N-H···S hydrogen bond. These chains are packed by a C-H···O hydrogen bond to yield [101] sheets. In (II), dimers generated by an N-H···S hydrogen bond are linked by C-H···O hydrogen bonds to form [111] double chains.

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“…The search for stable compounds having double bonds between heavier elements of groups 14 and 16, R 2 AvE (A = Si, Ge and Sn; E = S, Se and Te), classified as heavy ketones, has generated increasing interest in recent years. [1][2][3][4][5][6][7] Such compounds are known to show potential as ligands in synthetic and coordination chemistry 1,2 and are even able to activate small molecules and thus mimic transition metal elements. 3,4 Thio-and seleno-carbonyl compounds have been actively investigated both experimentally and theoretically, 4,[6][7][8][9][10][11][12][13][14][15][16][17][18][19] but much less is known about the telluro-ketones.…”

Section: Introductionmentioning

confidence: 99%

Novel germanetellones: XYGeTe (X, Y = H, F, Cl, Br, I and CN) – structures and energetics. Comparison with the first synthetic successes

et al. 2014

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No stable germanetellone was described until Tbt(Dis)Ge=Te and Tbt(Tip)Ge=Te (Tbt = 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl, Dis = bis(trimethylsilyl)methyl and Tip = 2,4,6-triisopropylphenyl) were reported in 1997. Following these initial experiments, there has arisen considerable interest in Ge[double bond, length as m-dash]Te systems. An obvious question is: why have the simple XYGe=Te (X, Y = H, F, Cl, Br, I and CN) molecules not yet been isolated? In view of the present situation, theoretical information may be of great help for further advances in germanetellone chemistry. A systematic investigation of the XYGe=Te molecules is carried out using the second order Møller-Plesset perturbation theory (MP2) and density functional theory (DFT). The structures and energetics, including ionization potentials (IPad and IPad(ZPVE)), four different forms of neutral-anion separations (EAad, EAad(ZPVE), VEA and VDE) and the singlet-triplet gaps, are reported. The electronegativity (χ) reactivity descriptor for the halogens (F, Cl, Br and I) and the natural charge separations of the Ge=Te moiety are used to assess the interrelated properties of germanetellone and its derivatives. The results are analyzed, discussed and compared with analogous studies of telluroformaldehyde, silanetellone and their derivatives. The thermodynamic viabilities of some of the novel germanetellones have also been evaluated in terms of the bond dissociation enthalpies of Tbt(Dis)Ge=Te and Tbt(Tip)Ge=Te. The simple mono-substituted germanetellones appear to be slightly more thermodynamically favored than Tbt(Dis)Ge=Te and Tbt(Tip)Ge=Te, since the bond dissociation enthalpies of these kinetically stabilized germanetellones are about 28 and 51 kcal mol(-1) lower, respectively.

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Recent progress in the chemistry of anionic groups 6–8 carbonyl chalcogenide clusters

Cited by 67 publications

References 495 publications

A Hypothetical Model for the Formation of Transition Metal Carbonyl Clusters Based upon 4n Series Skeletal Numbers

A Hypothetical Model for the Formation of Transition Metal Carbonyl Clusters Based upon 4n Series Skeletal Numbers

Two Fe₃(μ₃-S)₂(CO)₈clusters with terminal N-heterocyclic carbenes

Novel germanetellones: XYGeTe (X, Y = H, F, Cl, Br, I and CN) – structures and energetics. Comparison with the first synthetic successes

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Recent progress in the chemistry of anionic groups 6–8 carbonyl chalcogenide clusters

Cited by 67 publications

References 495 publications

A Hypothetical Model for the Formation of Transition Metal Carbonyl Clusters Based upon 4n Series Skeletal Numbers

A Hypothetical Model for the Formation of Transition Metal Carbonyl Clusters Based upon 4n Series Skeletal Numbers

Two Fe3(μ3-S)2(CO)8clusters with terminal N-heterocyclic carbenes

Novel germanetellones: XYGeTe (X, Y = H, F, Cl, Br, I and CN) – structures and energetics. Comparison with the first synthetic successes

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Two Fe₃(μ₃-S)₂(CO)₈clusters with terminal N-heterocyclic carbenes