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.
SSOH and HSSO radicals: an experimental and theoretical study of [S2OH]0/+/- species / DE PETRIS, Giulia; M., Rosi; Troiani, Anna. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - STAMPA. - 111:28(2007), pp. 6526-6533. [10.1021/jp072025r]
SSOH and HSSO radicals: an experimental and theoretical study of [S2OH]0/+/- species
DE PETRIS, GIULIA;TROIANI, Anna
2007
Abstract
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
