Theoretical investigation of selenium interferences in inductively coupled plasma mass spectrometry.

Structures, heats of formation, ionization energies, and proton affinities of selenium, argon dimer, argon-chlorine, and their hydrides (Se, SeH, SeH2, ArH, ArH2, Ar2, Ar2H, Ar2H2, 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+, SeH2•+, SeH3+, Ar2•+, Ar2H+, Ar2H2•+, Ar2H3+, ArCl+, ArClH•+, and ArClH2+ with various neutral gas G commonly used in dynamic reaction chamber-inductively coupled plasma-mass spectrometry (DRC-ICP-MS) (G = H2, CH4, NH3, O2, CO, CO2, NO, and N2O) has been investigated.