Experimental and Theoretical Study of Hybrid Dihydrogen Phosphate System: Insights into Bulk Growth, Chemical Etching, Non-Linear Optical Properties, and Antimicrobial Activity-Reference-Cited by-同舟云学术

Experimental and Theoretical Study of Hybrid Dihydrogen Phosphate System: Insights into Bulk Growth, Chemical Etching, Non-Linear Optical Properties, and Antimicrobial Activity

Published:2024-02-07 Issue: Volume: Page:
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Author:

Rafik Abdellatif¹,Lakhdar Fatima²,Zouihri Hafid³,Guedira Taoufiq¹,Acharjee Nivedita⁴,Islam Mohammad Shahidul⁵,Salah Mohammed⁶,Zeroual Abdellah⁶

Affiliation:

1. Laboratory of organic chemistry, Catalysis and Environment laboratory, Faculty of science IbnTofail University Kenitra city, Morocco.

2. Laboratory of marine Biotechnology and Environment-CNRST Labeled Research Uni, Faculty of sciences, Chouaib Doukkali University, BP 20,El Jadida 24000,Morocco.

3. Laboratory of Materials Chemistry and Biotechnology of Natural Products, Moulay Ismail University of Meknes, Faculty of Sciences, Meknes, Morocco.

4. Department of Chemistry, Durgapur Government College, West Bengal, India.

5. Department of Chemistry College of Science, King Saud University, Saudi Arabia.

6. Molecular Modeling and Spectroscopy Research Team, Department of Chemistry, Faculty of Sciences, Chouaïb Doukkali University, El Jadida, Morocco.

Abstract

Abstract The controlled slow evaporation process conducted at room temperature has yielded a novel hybrid material designated as (2-hydroxyethyl) trimethylammonium dihydrogen phosphate [2-HDETDHP] (C5H14NO+, H2PO4−), cultivated through the solution growth method. X-ray crystallography analysis indicates that the material adopts a triclinic structure with a filling rate of P\(\stackrel{-}{1}\)and a Z value of 2. This hybrid material exhibits significant absorption characteristics in the middle and far ultraviolet regions, UV-visible spectroscopy revealed that it remained transparent in the visible and near-visible ultraviolet domains. The various vibration modes were examined using FT-IR spectroscopy, and their relationships with the functional groups of the related structure were determined. Two- and three-dimensional fingerprint maps, along with three-dimensional using crystal Structures through Hirshfeld Surface Analysis, elucidate that O•••H and H•••H interactions dominate the structure, constituting the major proportions of 49.40% and 50.40%, respectively. Hirshfeld surfaces were employed to investigate intermolecular hydrogen bonding specifically within single phosphate groups. Fingerprint plots derived from the Hirshfeld surface were utilized to assess the pertinent percentages of hydrogen bonding interactions, with 80.6% of them being attributed to a fragment patch. This discovery holds potential implications for the future design and synthesis of large nonlinear optical (NLO) hybrid crystals.

Publisher

Research Square Platform LLC

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