Theoretical studies for arsenic interferences by inductively coupled plasma mass spectrometer

Abstract EN

A study on the thermochemistry of species (40Ar35Cl+ , 59Co16O+ , 36Ar38Ar1 H+ , 38Ar37Cl+ , 36Ar39K+ , 150Nd++, 150Sm++and 150Eu++) that interfere with arsenic in inductively coupled plasma mass spectrometer was estimated by Gaussian code.

Moreover, (AsCH3F+ , AsF+ , AsCH2 + , AsCHF+ and AsO+ ) that result from the reactions between arsenic and different gases such as H2, O2 and CH3F, which are commonly used in dynamic reaction cell-inductively coupled plasma- mass spectrometer, have been investigated.

The structures of polyatomic molecules are optimized; ionization energies, heats of formation (ΔfH° 0 and ΔfH° 298) and proton affinity (PA) of some species are estimated by theoretical calculations using different methods in Gaussian