Theoretical Investigation of Selenium Interferences in Inductively Coupled Plasma Mass Spectrometry.

Guy Bouchoux (1) , A. M. Rashad (2) , A. I. Helal (2)

1 DCMR - Laboratoire des mécanismes réactionnels
2 Central Laboratory for Elemental and Isotopic Analysis

Structures, heats of formation, ionization energies, and proton affinities of selenium, argon dimer, argon-chlorine, and their hydrides (Se, SeH, SeH(2), ArH, ArH(2), Ar(2), Ar(2)H, Ar(2)H(2), ArCl, and ArHCl) are estimated by quantum chemistry calculations using G3, G4, and W1 composite methods and coupled cluster approach at the CCSD(T)/aug-cc-pVTZ levels. Thermochemistry of the reactions between ions A(+) = Se(*+), SeH(+), SeH(2)(*+), SeH(3)(+), Ar(2)(*+), Ar(2)H(+), Ar(2)H(2)(*+), Ar(2)H(3)(+), ArCl(+), ArClH(*+), and ArClH(2)(+) with various neutral gas G commonly used in dynamic reaction chamber-inductively coupled plasma-mass spectrometry (DRC-ICP-MS) (G = H(2), CH(4), NH(3), O(2), CO, CO(2), NO, and N(2)O) has been investigated.

Domains: Theoretical and/or physical chemistry

Guy Bouchoux, A. M. Rashad, A. I. Helal. Theoretical Investigation of Selenium Interferences in Inductively Coupled Plasma Mass Spectrometry.. Journal of Physical Chemistry A, 2012, 116 (36), pp.9058-9070. ⟨10.1021/jp304644u⟩. ⟨hal-00904388⟩