Theoretical study of the interaction between PbS and triethanolamine as its complexing agent

Aned De Leon; M. C. Acosta-Enríquez; S. J. Castillo; A. Apolinar-Iribe

doi:10.1080/17415993.2012.689481

Theoretical study of the interaction between PbS and triethanolamine as its complexing agent

Aned De Leon^*, M. C. Acosta-Enríquez, S. J. Castillo, A. Apolinar-Iribe

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

We performed a theoretical analysis of the systems formed by Pb/PbS with one or two molecule(s) of triethanolamine as a complexing agent. Conformational analysis, geometry optimizations and frequency calculations at the MP2/LANL2DZ level of theory were performed to check the isomer stabilities.

Original language	English
Pages (from-to)	391-396
Number of pages	6
Journal	Journal of Sulfur Chemistry
Volume	33
Issue number	4
DOIs	https://doi.org/10.1080/17415993.2012.689481
State	Published - 1 Aug 2012

Keywords

MP2
PbS
complexing agent

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10.1080/17415993.2012.689481

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abstract = "We performed a theoretical analysis of the systems formed by Pb/PbS with one or two molecule(s) of triethanolamine as a complexing agent. Conformational analysis, geometry optimizations and frequency calculations at the MP2/LANL2DZ level of theory were performed to check the isomer stabilities.",

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AU - Acosta-Enríquez, M. C.

AU - Castillo, S. J.

AU - Apolinar-Iribe, A.

PY - 2012/8/1

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AB - We performed a theoretical analysis of the systems formed by Pb/PbS with one or two molecule(s) of triethanolamine as a complexing agent. Conformational analysis, geometry optimizations and frequency calculations at the MP2/LANL2DZ level of theory were performed to check the isomer stabilities.

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KW - PbS

KW - complexing agent

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DO - 10.1080/17415993.2012.689481

M3 - Artículo

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VL - 33

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EP - 396

JO - Journal of Sulfur Chemistry

JF - Journal of Sulfur Chemistry

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ER -

Theoretical study of the interaction between PbS and triethanolamine as its complexing agent

Abstract

Keywords

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