The infra-red spectrum and structure of disulphur dinitride

Warn, J.R.W.; Chapman, David R.

doi:10.1016/0371-1951(66)80041-3

Cited by 50 publications

(23 citation statements)

References 15 publications

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“…The rule of mutual exclusion applies and the three b u modes are infrared active. In agreement with previous gas‐phase2 and matrix‐isolation work9 only two strong IR bands were observed at $\tilde \nu $ =789.7 (ν 6 , b 3u ) and 473.8 cm −1 (ν 4 , b 1u ). In addition we detected the very weak ν 5 (b 2u ) band at $\tilde \nu $ =655.6 cm −1 as well as four additional combination bands of ν 5 and ν 6 , respectively (Figure 1).…”

Section: Resultssupporting

confidence: 91%

“…Cyclic disulfur dinitride, S 2 N 2 , has been of ongoing interest since it has first been synthesized sixty years ago by Goehring and Voigt 1. About ten years later War and Chapman recorded a low‐resolution vapor‐phase IR spectrum utilizing a long‐path multi‐reflection cell 2. The IR spectrum, and particularly the band contours of the two most prominent bands at $\tilde \nu $ =792 and 475 cm −1 indicate a near square‐planar ring structure having alternate SN bonds and D 2 h symmetry 2.…”

Section: Introductionmentioning

confidence: 99%

“…About ten years later War and Chapman recorded a low‐resolution vapor‐phase IR spectrum utilizing a long‐path multi‐reflection cell 2. The IR spectrum, and particularly the band contours of the two most prominent bands at $\tilde \nu $ =792 and 475 cm −1 indicate a near square‐planar ring structure having alternate SN bonds and D 2 h symmetry 2. The vapor‐phase photoelectron3 and UV absorption spectra4 of S 2 N 2 were found to be consistent with the proposed molecular structure.…”

Section: Introductionmentioning

confidence: 99%

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Vibrational Spectrum and Gas‐Phase Structure of Disulfur Dinitride (S₂N₂)

Perrin

Antognini

Zeng

et al. 2014

Chemistry A European J

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Gas-phase FTIR spectra of the ν6 (B-type) and the ν4 (C-type) fundamental bands of S2 N2 (D2h ) were recorded with a resolution of ≤0.004 cm(-1) and the vibrational spectrum of S2 N2 (D2h ) in solid Ar has been revisited. All IR-active fundamentals and four combination bands were assigned in excellent agreement with calculated values from anharmonic VPT2 and VCI theory based on (explicitly correlated) coupled-cluster surfaces. Accurate experimental vibrational ground- and excited-state rotational constants of (32) S2 (14) N2 are obtained from a rovibrational analysis of the ν6 and ν4 fundamental bands, and precise zero-point average rz (Rz (SN)=1.647694(95) Å, αz (NSN)=91.1125(33)°) and semi-experimental equilibrium structures (Re (SN)=1.64182(33) Å, αe (NSN)=91.0716(93)°) of S2 N2 have been established. These are compared to the solid-state structure of S2 N2 and structural properties of related sulfur nitrogen compounds and to results of ab initio structure calculations.

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Section: Resultssupporting

confidence: 91%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Vibrational Spectrum and Gas‐Phase Structure of Disulfur Dinitride (S₂N₂)

Perrin

Antognini

Zeng

et al. 2014

Chemistry A European J

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“…Later Symons and his co-workers (3) observed the same e.s.r. spectrum from solutions of S4N4 in both SbF, and sulfuric acid and on the basis of spin density calculations concluded that the radical could not be SN2+ but was more probably S2N2 + with a square planar structure analogous to that of the neutral molecule S2N2 (4). Further studies of the e.s.r.…”

Section: Introductionmentioning

confidence: 98%

The Radical Ion S₃N₂⁺. Preparation, Electron Spin Resonance Spectrum, and Crystal Structure of Thiodithiazyl Hexafluoroarsenate S₃N₂⁺AsF₆⁻

Gillespie¹,

Ireland²,

Vekris³

1975

Can. J. Chem.

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. Can. J. Chem. 53,3147 (1975). The compound S3N2+AsF6-has been prepared by the reaction of S4N4 with AsF,. The crystal structure has been determined from three-dimensional X-ray counter data. Crystals are monoclinic, space group P2,lc with a = 8.499(4), b = 8.298(4), c = 11.069(8), j 3 = 94.59(5), V = 778.1 A3, Z = 4, and D, = 2.67 g ~m -~. The structure was solved by Patterson methods and reiined to a conventional R factor of 0.028 for 798 independent reflections with I > 3o(I).The structure consists of discrete AsF6-ions and planar cyclic S3N2+ ions. Solutions of S3N2+AsF6-in methylene chloride gave a five-line electron spin resonance spectrum with an intensity ratio of 1 : 2 : 3 : 2 :1 showing that the unpaired electron in S3N2+ is coupled to two equivalent nitrogen atoms in full accord with the results of the crystal structure determination. planaires cycliques S3Nz+ et en anions AsF6-discrets. Des solutions dans du chlorure de mkthyl6ne ont donnk un spectre de rksonance paramagnktique klectronique montrant cinq bandes avec un rapport d'intensitks de 1 : 2 : 3 : 2: 1 ce qui indique que l'klectron apparik de S3N2+ est couplk avec deux atomes d'azote qui sont kquivalents comme le montrent les rksultats de la dktermination de la structure cristalline.[Traduit par le journal]

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“…Die Ursache hierfu È r liegt in den auch bei anderen l-S 2 N 2 -Komplexen [12] beobachteten bindenden intramolekularen S´´´Cl-Kontakten der coplanar mit dem S 2 N 2 -Ring angeordneten Chloratome Cl(1,3). Tatsa È chlich sind die Abweichungen der beteiligten Atome von der S 2 N 2 -Ringebene gering (Zahlenwerte in pm): Die W±N-Absta È nde in 3 sind mit 179(1) pm geringfu È gig ku È rzer als in Bis(phosphaniminato)wolfram-Komplexen mit Koordinationszahl sechs am Wolframatom [1] (17,13); N 4,71 (5,00); S 5,67 (5,72)%. Tatsa È chlich sind die Abweichungen der beteiligten Atome von der S 2 N 2 -Ringebene gering (Zahlenwerte in pm): Die W±N-Absta È nde in 3 sind mit 179(1) pm geringfu È gig ku È rzer als in Bis(phosphaniminato)wolfram-Komplexen mit Koordinationszahl sechs am Wolframatom [1] (17,13); N 4,71 (5,00); S 5,67 (5,72)%.…”

Section: [W(s) 2 (Npph 3 ) 2 ] (3) Und [Ph 3 Pnh 2 ] + [Scn] ± (4)unclassified

Neue Phosphaniminato-Komplexe von Molybdän und Wolfram. Die Kristallstrukturen von [(μ-S2N2){MoCl4(NPPh3)}2], [Mo(NPPh3)4][BF4]2, [W(S)2(NPPh3)2] und [Ph3PNH2]+[SCN]

Dietrich

Neumüller

Dehnicke

2000

Z. anorg. allg. Chem.

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Professor Dietrich Babel zum 70. Geburtstag gewidmet Inhaltsu È bersicht. Der zweikernige Molybda Èn(V)-Phosphaniminato-Komplex [(l-S 2 N 2 ){Mo V Cl 4 (NPPh 3 )} 2 ] (1) wird durch Reaktion des Chlorthionitren-Komplexes [Mo VI Cl 4 (NSCl)] 2 mit Me 3 SiNPPh 3 in Dichlormethan als olivgru È ne Kristalle erhalten. Die Messung der magnetischen Suszeptibilita Èt im Temperaturbereich von 2±30 K zeigt fu È r 1 ideales Curie-Verhalten mit einem magnetischen Moment von 1,60 B.M. pro Molybda È natom. Nach der Kristallstrukturanalyse bildet 1 zentrosymmetrische Moleku È le, in denen die Molybda Ènatome u È ber die N-Atome des S 2 N 2 -Moleku È ls verknu È pft sind. In trans-Position hierzu befinden sich die N-Atome der Phosphaniminato-Liganden (NPPh 3 ± ) mit Mo±N-Absta È nden von 171(1) pm. Der Tetrakis(phosphaniminato)komplex [Mo(NPPh 3 ) 4 ]-[BF 4 ] 2 (2) bildet sich als farblose Kristallnadeln bei der Umsetzung von MoN(NPPh 3 ) 3 mit Bortrifluorid-Etherat in Toluol. In dem Dikation ist das Molybda È natom tetraedrisch von den N-Atomen der (NPPh 3 ± )-Gruppen mit Mo±N-Absta È nden von 179,8±181,0(3) pm koordiniert. Der Bis(phosphaniminato)dithio-Wolframkomplex [W(S) 2 (NPPh 3 ) 2 ] (3) entsteht als gelbe Kristalle neben dem Thiocyanat [Ph 3 PNH 2 ] + [SCN] ± (4) bei der Reaktion von WN(NPPh 3 ) 3 mit Schwefelkohlenstoff in Tetrahydrofuran in Gegenwart von Spuren Wasser. 3 hat monomere Moleku È lstruktur mit tetraedrisch koordiniertem Wolframatom und Bindungsla È ngen W±S von 214,5(5) pm und W±N von 179(1) pm. In 4 sind die Thiocyanat-Ionen u È ber Wasserstoffbru È ckenbindungen der NH 2 -Gruppe des Kations zu Zickzack-Ketten assoziiert.1: Raumgruppe Pbca, Z = 4, Gitterkonstanten bei ±80°C: a = 1647,9(3); b = 1460,8(2); c = 1810,4(4) pm; R 1 = 0,0981.2: Raumgruppe P1, Z = 2, Gitterkonstanten bei ±80°C: a = 1162,5(1); b = 1238,0(1); c = 2346,2(2) pm; a = 103,14(1)°; b = 90,13(1)°; c = 97,66(1)°; R 1 = 0,0423.3: Raumgruppe Fdd2, Z = 8, Gitterkonstanten bei ±80°C: a = 3310,1(4); b = 2059,7(2); c = 966,7(1) pm; R 1 = 0,0696. 4: Raumgruppe P2 1 2 1 2 1 , Z = 4, Gitterkonstanten bei ±80°C:Abstract. The binuclear molybdenum(V)phosphoraneiminato complex [(l-S 2 N 2 ){Mo V Cl 4 (NPPh 3 )} 2 ] (1) has been prepared by the reaction of the chlorothionitreno complex [Mo VI Cl 4 (NSCl)] 2 with Me 3 SiNPPh 3 in dichloromethane forming green crystals. The temperature dependent magnetic susceptibility in the range of 2±30 K shows ideal behaviour according to the Curie law with a magnetic moment of 1.60 B.M. According to the crystal structure determination 1 forms centrosymmetric molecules in which the molybdenum atoms are connected by the nitrogen atoms of the S 2 N 2 molecule. In trans-position to it the nitrogen atoms of the phosphoraneiminato groups (NPPh 3 ± ) are coordinated with Mo±N bond lengths of 171(1) pm.The tetrakis(phosphoraneiminato) complex [Mo(NPPh 3 ) 4 ]-[BF 4 ] 2 (2) has been obtained as colourless crystal needles by the reaction of MoN(NPPh 3 ) 3 with boron trifluoride etherate in toluene solution. In the dication th...

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The infra-red spectrum and structure of disulphur dinitride

Cited by 50 publications

References 15 publications

Vibrational Spectrum and Gas‐Phase Structure of Disulfur Dinitride (S₂N₂)

Vibrational Spectrum and Gas‐Phase Structure of Disulfur Dinitride (S₂N₂)

The Radical Ion S₃N₂⁺. Preparation, Electron Spin Resonance Spectrum, and Crystal Structure of Thiodithiazyl Hexafluoroarsenate S₃N₂⁺AsF₆⁻

Neue Phosphaniminato-Komplexe von Molybdän und Wolfram. Die Kristallstrukturen von [(μ-S2N2){MoCl4(NPPh3)}2], [Mo(NPPh3)4][BF4]2, [W(S)2(NPPh3)2] und [Ph3PNH2]+[SCN]

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The infra-red spectrum and structure of disulphur dinitride

Cited by 50 publications

References 15 publications

Vibrational Spectrum and Gas‐Phase Structure of Disulfur Dinitride (S2N2)

Vibrational Spectrum and Gas‐Phase Structure of Disulfur Dinitride (S2N2)

The Radical Ion S3N2+. Preparation, Electron Spin Resonance Spectrum, and Crystal Structure of Thiodithiazyl Hexafluoroarsenate S3N2+AsF6−

Neue Phosphaniminato-Komplexe von Molybdän und Wolfram. Die Kristallstrukturen von [(μ-S2N2){MoCl4(NPPh3)}2], [Mo(NPPh3)4][BF4]2, [W(S)2(NPPh3)2] und [Ph3PNH2]+[SCN]

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Vibrational Spectrum and Gas‐Phase Structure of Disulfur Dinitride (S₂N₂)

Vibrational Spectrum and Gas‐Phase Structure of Disulfur Dinitride (S₂N₂)

The Radical Ion S₃N₂⁺. Preparation, Electron Spin Resonance Spectrum, and Crystal Structure of Thiodithiazyl Hexafluoroarsenate S₃N₂⁺AsF₆⁻