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https://doi.org/10.5562/cca3605

Theoretical, Spectroscopic and Crystal Structure Investigation of a Novel Selenomolybdate (NH4)4[Se2Mo5O21]·3H2O

Jihen Ajmi ; Laboratory of Materials, Cristallochemistry and Applied Thermodynamics University El Manar, Tunisia
Ichraf Nagazi ; Laboratory of Materials, Cristallochemistry and Applied Thermodynamics University El Manar, Tunisia
Takoua Ben Issa
Ali Harchani ; Laboratory of Materials, Cristallochemistry and Applied Thermodynamics University El Manar, Tunisia
Amor Haddad ; Laboratory of Materials, Cristallochemistry and Applied Thermodynamics University El Manar, Tunisia


Puni tekst: engleski pdf 11.165 Kb

str. 519-529

preuzimanja: 376

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Sažetak

The current investigation undertakes the synthesis, crystal structure, spectroscopic, thermal analyses and theoretical calculations of a new 3 D Strandberg-type polyoxometalate-based inorganic (NH4)4[Se2Mo5O21]·3H2O (denoted as ASH). Structural data obtained by single crystal X-ray diffraction revealed that the titled compound crystallizes in orthorhombic system with Pbcn space group, having parameters a = 15.0927(2) Å, b = 13.3633(1) Å, c = 23.8204(3) Å and Z = 8. Molecular structure and spectroscopic analysis were performed using experimental techniques like X-ray diffraction, infrared spectrum, UV–visible spectroscopy and thermogravimetric analysis. Hirshfeld surface analysis was performed to study the intermolecular interactions. The structural arrangement is mainly made by a system of H-bonds. All Strandberg clusters anions [Se2Mo5O21]4– are connected to each other through water molecules and the ammonium groups NH4+ to build a 3D (3 dimensional) supramolecular framework. Theoretical calculations were performed using PM3 semi-empirical model and several properties were studied.

This work is licensed under a Creative Commons Attribution 4.0 International License.

Ključne riječi

Strandberg clusters, crystal structure, electrochemical properties and theoretical study

Hrčak ID:

239325

URI

https://hrcak.srce.hr/239325

Posjeta: 742 *