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Theoretical Studies for Arsenic Interferences by Inductively Coupled Plasma Mass Spectrometer

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Last updated: 03 Jan 2025

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Abstract

Study on the thermochemistry of species (40Ar35Cl+, 59Co16O+, 36Ar38Ar1H+, 38Ar37Cl+, 36Ar39K+, 150Nd++, 150Sm++and 150Eu++) that interfere with arsenic in inductively coupled plasma mass spectrometer. 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 common 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 quantum chemistry calculations using different methods in Gaussian 09. In this work Gaussian 09 is used for calculating thermochemistry of species (40Ar35Cl+, 59CThe species (AsCH3F+, AsF+, AsCH2+, AsCHF+ and AsO+), that obtained from the reactions between arsenic and different gases which are common used in DRC-ICP-MS using G3 and CBS-Q methods of calculations except (150Nd++, 150Sm++and 150Eu++) are calculated using MP2/CEP-4G and MP3/CEP-4G methods. Proton affinity of 36Ar38ArH+ and 40Ar34SH+ are calculated and gave values 326.112 and 866.742, respectively.

DOI

10.21608/ajnsa.2017.2007.1012

Keywords

Arsenic interferences, Gaussian 09, DRC-ICP-MS

Authors

First Name

Ahmed

Last Name

Rashad

MiddleName

Mohamed

Affiliation

Central laboratory for Elemental and Isotopic Analysis, Nuclear Research Center, Atomic Energy Authority, p.O.Box, 13759, About Zabal, Egypt.

Email

rashad119@yahoo.com

City

-

Orcid

0000-0003-3031-0141

First Name

Atef

Last Name

Abdel Hafiez

MiddleName

-

Affiliation

NRC, Pyysics department, P.O.13759 Egypt

Email

atef_abdel_hafiez@yahoo.com

City

-

Orcid

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Volume

51

Article Issue

3

Related Issue

874

Issue Date

2018-07-01

Receive Date

2017-11-12

Publish Date

2018-07-01

Page Start

43

Page End

50

Print ISSN

1110-0451

Online ISSN

2090-4258

Link

https://ajnsa.journals.ekb.eg/article_8004.html

Detail API

https://ajnsa.journals.ekb.eg/service?article_code=8004

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5

Type

Original Article

Type Code

455

Publication Type

Journal

Publication Title

Arab Journal of Nuclear Sciences and Applications

Publication Link

https://ajnsa.journals.ekb.eg/

MainTitle

Theoretical Studies for Arsenic Interferences by Inductively Coupled Plasma Mass Spectrometer

Details

Type

Article

Created At

22 Jan 2023