Sulphur cations and their gas-phase reactivity: An FT-ICR investigation

Niedner‐Schatteburg, Gereon; Šilha, Josef; Schindler, Thomas; Bondybey, V. E.

doi:10.1016/0009-2614(91)90484-q

Cited by 14 publications

(2 citation statements)

References 39 publications

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“… The reaction of S 2 + and H 2 O is computed to be endothermic by 44.1 kcal mol -1 (CBS-Q) with respect to the formation of the most stable ion SSOH + 1 . This is consistent with earlier studies reporting that thermally relaxed S 2 + is unreactive with H 2 O . However, thermal conditions are unlikely in our experiments and low-lying electronically excited states (i.e., S 2 + ( 4 Π u )) are known to be also formed by electron impact of S 2 , although their lifetime is not known. 34c, It must be noted that, to detect the [S 2 OH] + ion, one has to work with a large excess of water which causes extensive self-protonation by H 2 O + .…”

Section: Resultssupporting

confidence: 91%

SSOH and HSSO Radicals: An Experimental and Theoretical Study of [S₂OH]^0/+/- Species

2007

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New radicals containing sulfur-sulfur bonds are detected in the gas phase: disulfur hydroxide SSOH and thiosulfenoxide HSSO, stable toward dissociation by ca. 50 and 40 kcal mol(-1), respectively. Energetic, structural features and fragmentation pathways of these [S2OH] radicals and their charged species [S2OH]+ and [S2OH]- are experimentally and computationally investigated by mass spectrometric techniques and ab initio calculations. [S2OH]+ is obtained by various ion-molecule reactions leading to S2O protonated on the oxygen and end-sulfur atoms, whose proton affinity is computed at different levels of theory. The first detection of [S2OH]-, the conjugate base of the oxatrisulfane HSSOH, is also reported.

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Section: Resultssupporting

confidence: 91%

SSOH and HSSO Radicals: An Experimental and Theoretical Study of [S₂OH]^0/+/- Species

2007

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“…Small‐ring homocyclic sulfur cations, ie, S

_{+}^{5}

and S

_{+}^{6}

, constitute one of such cases. In contrast to the S

_{+}^{8}

homocycle 1–3, the available experimental information on these two cations is limited to their gas‐phase reactivities toward NH 3 4, 5, NO and NO 2 5, and other inorganic substances 6.…”

Section: Introductionmentioning

confidence: 99%

Conformations of the S and S homocyclic radical cations

Ciosłowski

Szarecka

Moncrieff

2002

Int J of Quantum Chemistry

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According to both UB3LYP/6-311G* and UMP2/6-311G* calculations, the S 5 ϩ homocyclic radical cation exists in only one conformer of C s symmetry that undergoes a facile pseudorotation through a C 2 transition state. A structure with D 3d symmetry is predicted to be the global minimum for the S 6 ϩ species. The current study uncovers the gradual transition from the conformational simplicity of smaller homocyclic sulfur cations, for which the rigidity of the rings apparently translates into a relatively weak influence of electron correlation effects on their relative energetics and geometries, to the conformational complexity of larger species, for which significant discrepancies between the predictions of different electronic structure methods are observed.

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Gas‐Phase Reactivity of Sulphur Cluster Cations and Anions by FT‐ICR Investigations

Schindler

Berg

Niedner‐Schatteburg

et al. 1992

Ber Bunsenges Phys Chem

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The gas phase reactions of sulphur cluster cations S italicn+ (n = 2,…,8) and anions S italicn− (n = 2,…,6), have been studied by means of a Fourier‐Transform‐Ion‐Cyclotron‐Resonance (FT‐ICR) mass spectrometer. While with several simple gases no reactions, besides some fragmentation, were observed, some of the clusters were found to be reactive towards NO, NH3 and particularly NO2. Where product ions were detected, relative and absolute rate constants were extracted from the data, while only upper limits could be estimated for those systems which do not yield observable amounts of products. We discuss in most detail the reactions of NO2 which reacts with both the anions and cations. By comparing the reactivities of clusters of differing charge we try to deduce the influence of charge versus structure.

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Sulphur cations and their gas-phase reactivity: An FT-ICR investigation

Cited by 14 publications

References 39 publications

SSOH and HSSO Radicals: An Experimental and Theoretical Study of [S₂OH]^0/+/- Species

SSOH and HSSO Radicals: An Experimental and Theoretical Study of [S₂OH]^0/+/- Species

Conformations of the S and S homocyclic radical cations

Gas‐Phase Reactivity of Sulphur Cluster Cations and Anions by FT‐ICR Investigations

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Sulphur cations and their gas-phase reactivity: An FT-ICR investigation

Cited by 14 publications

References 39 publications

SSOH and HSSO Radicals: An Experimental and Theoretical Study of [S2OH]0/+/- Species

SSOH and HSSO Radicals: An Experimental and Theoretical Study of [S2OH]0/+/- Species

Conformations of the S and S homocyclic radical cations

Gas‐Phase Reactivity of Sulphur Cluster Cations and Anions by FT‐ICR Investigations

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SSOH and HSSO Radicals: An Experimental and Theoretical Study of [S₂OH]^0/+/- Species

SSOH and HSSO Radicals: An Experimental and Theoretical Study of [S₂OH]^0/+/- Species