The successful implementation of this project resulted in the identification of an experimentally validated approach for the synthesis, characterization and molecular modeling of the three proposed ligands. In addition the identification of the X-ray molecular structure of all three aromatic dicarboxylic acids allowed the calculation of the Hirschfield surface analysis, which identifies the supramolecular packing and atom proximities in the crystalline solid. The theoretical investigations are valuable resources useful in identifying the structural particularities encountered in the structure of the MOFs prepared with these ligands and in explaining the gas sorption or separation behavior of the coordination polymers.  

In addition, using the three ligands, robust zirconium, zinc and aluminum MOF have been prepared with excellent thermal stability (higher than 450 °C). The BET surface area of the MOF especially those with tetravalent Zr-F2 or trivalent metals Al-CF3 of  1300 and 1690 m2/g respectively, alongside the chemical and thermal resistance imparted by the robust metal-ligand bonds, recommends these MOFs as viable candidates in gas sorption.

Disemination

2020

Oral presentation:

Ioan-Andrei Dascălu, Sergiu Shova, Rodinel Ardeleanu, Narcisa Marangoci, Mariana Pinteală, "Metal-organic frameworks based on a functionalized terphenyldicarboxylic acid for gas and water sorbtion", Sesiunea de comunicari stiintifice a tinerilor cercetatori ICMPP –Poarta deschisa spre viitor Macroyouth 2020 editia I-a, Iasi, 19 noiembrie 2020.

2021

Poster presentation:

Ioan-Andrei Dascalu, Sergiu Shova, Rodinel Ardeleanu, Narcisa Marangoci, Mariana Pinteala, Christoph Janiak, "Towards robust metal-organic frameworks based on fluorinated linkers for gas storage", Progress in Organic and Macromolecular Compounds 28th Edition Macro Iasi 2021, October 7 - 9, Iasi, Romania.

The poster was awarded with the distinction: Best Poster Communication - (Offered by sponsor Macromol-MDPI, new journal DOAJ indexed).

Publications:

1. I.-A. Dascalu, D.-L. Isac, S. Shova, M. Balan-Porcarasu, N.-L. Marangoci, M. Pinteala, C. Janiak, Structural characterization and computational investigations of three fluorine-containing ligands with a terphenyl core, Journal of Molecular Structure, 1266, 2022, 133474. 

2. Bejan, D.; Dascalu, I. A.; Shova, S.; Trandabat, A. F.; Bahrin, L. G. Mesitylene Tribenzoic Acid as a Linker for Novel Zn/Cd Metal-Organic Frameworks, Materials, 2022, 15, 4247.

Patent Request:

Cerere brevet de inventie: RETEA METAL-ORGANICA CU LIGAND TRITOPIC SI PROCEDEU DE OBTINERE, Bahrin L., Bejan D., Dascalu I.-A., Sova S., Marangoci N.-L., Ardeleanu T.-S., Registratura OSIM nr. A/00431/21.07.2022.