The Crystal and Molecular Structure of S<sub>6</sub> (Sulfur-6)

Donohue, Jerry; Caron, A.; Goldish, Elihu

doi:10.1021/ja01479a003

Cited by 102 publications

(39 citation statements)

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“…The average S-S lengths in S 6 (Donohue, Caron & Goldish, 1961), S 8 (Caron & Donohue, 1965), S~2 (Kutoglu & Hellner, 1966), S~s and Sz0 (Schmidt, Wilhelm, Debaerdemaeker, Hellner & Kutoglu, 1974) are closely similar, 2.047-2.059/~, with little scatter about the mean. Much larger variations are found in $7 (Steudel, Reinhardt & Schuster, 1977) and the oxides $70 (Steudel, Reinhardt & Sandow, 1977) and $80 (Luger, Bradaczek, Steudel & Rebsch, 1976), for instance in SvO: 1.97-2.28 A.…”

Section: Introductionmentioning

confidence: 83%

X-ray study of structure and charge density of 1-methylsulfonyl-2-phenylsulfonylethane

Mo¹,

Gaasdal²

1980

Acta Crystallogr Sect B

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Section: Introductionmentioning

confidence: 83%

X-ray study of structure and charge density of 1-methylsulfonyl-2-phenylsulfonylethane

Mo¹,

Gaasdal²

1980

Acta Crystallogr Sect B

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“…This hexagonal structure remains energetically most stable up to 300 GPa the highest pressure studied. Within the structure, a sublattice of N atoms adopts a chair-like form of hexameric N 6 , structurally identical to the high-pressure phase of ε-sulfur (i.e., the S 6 -ring structure) [31]. Intriguingly, the Xe sublattice is isomorphous with the high-pressure β-Po phase of tellurium (Te) [32].…”

mentioning

confidence: 99%

Stable xenon nitride at high pressures

Peng

Wang

et al. 2015

Phys. Rev. B

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Nitrides in many ways are fascinating since they often appear as superconductors, high energy density and hard materials. Though there exist a large variety of nitrides, noble gas nitrides are long missing in nature. Pursuit of noble gas nitrides has therefore become the subject of topical interests, but remains as a great challenge since molecular nitrogen (N 2 , a major form of nitrogen) and noble gases are both inert systems and do not interact at normal conditions. We show through a swarm structure searching simulation that high pressure can lift the reactivity of both N 2 and xenon (Xe), making chemical reaction of them possible. The resultant nitride has a peculiar stoichiometry of XeN 6 , possessing a high-energy-density of approximately 2.4 kJg -1 , rivaling that of the modern explosives. Chemically, XeN 6 is more intriguing with the appearance of chaired N 6 hexagons and an emergent 12-fold Xe by acceptance of unprecedentedly 12 Xe-N weak covalent bonds. Our work opens up the possibility of achieving Xe nitrides whose formation is long sought as impossible.PACS numbers: 61.66.fn, 71.15.Mb, 81.40.Vw Nitrogen (N) is the most abundant element in the Earth's atmosphere and is one of most important constituents of our universe. In air, N exists in the form of diatomic N 2 molecules and has the strongest-known triple N≡N bond. As a result, N 2 is chemically inert[1] and hardly interacts with other elements or substances under normal conditions. Syntheses of useful nitrides for industrial applications rely on chemical methods [2] via, e.g., temperature-programmed reaction, thermal decomposition, electrochemical synthesis, or with the aid of catalysts (e.g., the synthesis of NH 3 ). [3] Nitrides have a variety of intriguing properties, such as superconductivity[4], high energy density [5], and high hardness [6], as well as extraordinary chemical and thermal stability [7].Noble gases (e.g., Ar, Kr, and Xe) as typical closed-shell systems are inert prototype examples and where the famous octet rule[8] originated. They are critical elements[9] because their abundances constrain the models for giant planet formation and the origin of their atmospheres. Among noble gases, Xe has the largest atomic core and is polarizable to form Xe fluorides[10] (or Xe noble metal hexafluorides [11]) and Xe oxides [12] in certain circumstances at ambient conditions due to its low ionization energy and large relativistic effect.[13] However, other Xe compounds are only synthesizable by using Xe fluoride precursors, instead of Xe gas, in the reaction with other organics or inorganics.Since both N 2 and Xe are inert, they do not directly interact at ambient conditions. Although Xe and N containing compounds have been seen at ambient pressure in (FXe)[N(SO 2 F) 2 ] salts [14], the syntheses of these salts relied on the precursors of the cationic (FXe) + and anionic Ncontaining ligands, while not the uses of N 2 and Xe gases [13]. All of these as-synthesized complex salts have poor thermal stability, and most of them decompose explosi...

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“…

A low temperature (-90 °C) X-ray structural analysis of SÖ single crystals yielded improved data for the bond distances (206.8 pm), bond angles (102.6°), and torsion angles (73.8°) of the D3d molecule which are in agreement with current theories of homonuclear sulfur bonds.Light and temperature sensitive crystals of cyclohexasulfur can be easily obtained according to [2,3] 6 Na2S203 + 12 HCl -> S6 + 6 S02 + 12 NaCl + 6 H20 and have been shown by X-ray structural analysis to consist of homocyclic molecules of D3d symmetry occupying sites of 3-Se symmetry [4]. The rhombohedral unit cell of space group R3 contains six atoms [4].

…”

mentioning

confidence: 99%

“…Light and temperature sensitive crystals of cyclohexasulfur can be easily obtained according to [2,3] 6 Na2S203 + 12 HCl -> S6 + 6 S02 + 12 NaCl + 6 H20 and have been shown by X-ray structural analysis to consist of homocyclic molecules of D3d symmetry occupying sites of 3-Se symmetry [4]. The rhombohedral unit cell of space group R3 contains six atoms [4].…”

mentioning

confidence: 99%

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Redetermination of the Crystal and Molecular Structure of Cyclohexasulfur, S₆ [1]

Steidel

Pickardt

Steudel

1978

Zeitschrift Für Naturforschung B

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The Crystal and Molecular Structure of S₆ (Sulfur-6)

Cited by 102 publications

References 1 publication

X-ray study of structure and charge density of 1-methylsulfonyl-2-phenylsulfonylethane

X-ray study of structure and charge density of 1-methylsulfonyl-2-phenylsulfonylethane

Stable xenon nitride at high pressures

Redetermination of the Crystal and Molecular Structure of Cyclohexasulfur, S₆ [1]

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The Crystal and Molecular Structure of S6 (Sulfur-6)

Cited by 102 publications

References 1 publication

X-ray study of structure and charge density of 1-methylsulfonyl-2-phenylsulfonylethane

X-ray study of structure and charge density of 1-methylsulfonyl-2-phenylsulfonylethane

Stable xenon nitride at high pressures

Redetermination of the Crystal and Molecular Structure of Cyclohexasulfur, S6 [1]

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The Crystal and Molecular Structure of S₆ (Sulfur-6)

Redetermination of the Crystal and Molecular Structure of Cyclohexasulfur, S₆ [1]