The Solvent Effects on Relative Stability of allolybdatc-Phosphonic Acid Complex: A Theoretical Study

Subject Areas : Journal of Physical & Theoretical Chemistry

1 - -
2 - -

Received: 2015-05-23 Accepted : 2015-05-23 Published : 2009-08-01

Keywords: Molybdate: Phosphomc Acid. Sol,

Abstract :

The structure and relative stability of Molybdata-Phosphonic Acid (MP) Complex in different solventshave been carried out using Density Functional Theory (DP[) methods. The methods me used forcalculations are B3LYP and 83PW91. that have been studied in two series of basis sets: D95"and 6-31+0(cl,p) for hydrogen and oxygen atoms; LANL2OZ for Mn and Phosphorus. Predicted geometw and relativestability are discussed. Equilibritun geometry in the ground electronic state energy has been calculated forLt complex. The best results for energeto and geometrical grotmd state in different of used solvents wereobtained with Becke3LYP calculations.

References:

Sepration and determination trace amount of cadmium ions in real and water samples by cloud point extraction - flame atomic absorption spectrophotometry after preconcentration with non-ionic surfactant Triton-X114
Print Date : 2018-01-01
QSAR study of camptothecin derivatives as anticancer drugs using genetic algorithm and multiple linear regression analysis
Print Date : 2023-03-01
Electroanalysis of Trace Amount Hg2+ Ion in Water Samples Using Sensor Co3O4-CeO2-ZnO/CPE and Square Wave Anodic Stripping Voltammetry (SWASV) Method
Print Date : 2022-02-01
Ultrasonic Assisted Removal of humic acids (HAs) from aqueous solutions on Uultrasonically polysulfone/ X% Fe2O3 mixed matrix membrane, An Experimental Design Methodology
Print Date : 2022-10-01
Investigation of Silicon Nanowires Roles in Solar Cells
Print Date : 2022-10-01
Quantitative Structure-Property Relationship to Predict Quantum Properties of Monocarboxylic Acids By using Topological Indices
Print Date : 2016-11-01

Share To

Article Url

The Solvent Effects on Relative Stability of allolybdatc-Phosphonic Acid Complex: A Theoretical Study