Thermochemical study of gaseous indium-arsenic sulfosalt

Rapid Communications in Mass Spectrometry : RCM
Sergey M ShugurovAlexandra Yu Pulyalina

Abstract

Sulfide systems are often used at high temperatures, when vaporization of the components is enabled. Sulfide ores are used as sources of various metals and nonmetals and gaseous sulfides, and sulfosalts may also play a role in the atmosphere chemistry of hot rocky exoplanets. To predict the existence and thermal stability of gaseous sulfides and sulfosalts it is important to know their thermodynamic characteristics. In this study the sulfosalt of indium and arsenic was obtained in the gaseous phase for the first time. High-temperature Knudsen effusion mass spectrometry was used to determine the partial pressures of vapor species over indium and arsenic sulfides. A molybdenum double two-temperature cell was used to create the conditions of coexistence of indium and arsenic sulfides. A theoretical study of gaseous As4 S4 and In2 AsS2 was performed using both B3LYP, M06, PBE0 and TPSSh hybrid DFT functionals and an ab initio wave function-based MP2(Full) method. Gaseous In2 AsS2 has been identified during vaporization of In6 S7 and As2 S3 from the molybdenum double two-temperature cell. The structure and molecular parameters of gaseous In2 AsS2 were determined using quantum chemical calculations. Energetically favorable structures...Continue Reading

References

May 20, 2000·Science·R Lopes-GautierL A Soderblom
Nov 19, 2011·Rapid Communications in Mass Spectrometry : RCM·S M Shugurov, S I Lopatin
Apr 25, 2013·Dalton Transactions : an International Journal of Inorganic Chemistry·Sergey I LopatinSergey M Shugurov
Nov 5, 2014·Rapid Communications in Mass Spectrometry : RCM·Sergey I LopatinKsenia A Emelyanova

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