A1 Journal article (refereed)
X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker (2023)


Soliman, S. M., Al-Rasheed, H. H., AL-khamis, S. A., Haukka, M., & El-Faham, A. (2023). X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker. Crystals, 13(8), Article 1198. https://doi.org/10.3390/cryst13081198


JYU authors or editors


Publication details

All authors or editorsSoliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman

Journal or seriesCrystals

eISSN2073-4352

Publication year2023

Publication date02/08/2023

Volume13

Issue number8

Article number1198

PublisherMDPI AG

Publication countrySwitzerland

Publication languageEnglish

DOIhttps://doi.org/10.3390/cryst13081198

Publication open accessOpenly available

Publication channel open accessOpen Access channel

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/88531


Abstract

The two dinuclear Cd(II) complexes [Cd(BPMST)(SCN)]2 (1) and [Cd(BPMST)(N3)Cl]2 (2) of a s-triazine/pyrazolo ligand (BPMST) were synthesized. The preparation of both complexes was performed in a water–ethanol solvent mixture and involved the mixing of the functional ligand BPMST with CdCl2 in the presence of thiocyanate or azide as linkers, respectively. The dinuclear formula of both complexes and the involvement of the pesudohalide as a linker between the Cd(II) centers were approved by single crystal X-ray structures. The Cd(II) was hexa-coordinated and the CdN5S (1) and CdN5Cl (2) coordination environments had distorted octahedral geometry. In the [Cd(BPMST)(SCN)]2 and [Cd(BPMST)(N3)Cl]2, the BPMST acted as a pincer tridentate N-chelate. In the case of 1, the SCN¯ acted as a μ(1,3) bridging ligand between the Cd(II) centers, while the N3¯ had a μ(1,1) bridging mode in 2. As a result, the Cd…Cd distance was significantly longer in 1 (5.8033(5) Å) than in 2 (3.796(2) Å). In both complexes, the Cd(II) had distorted octahedral coordination geometry. Hirshfeld surface analysis was performed to inspect the supramolecular aspects of the two Cd(II) complexes. The C…H, N…H and S…H contacts were important in the case of [Cd(BPMST)(SCN)]2 (1). Their percentages were calculated to be 14.7, 17.0 and 13.4%, respectively. In the case of [Cd(BPMST)(N3)Cl]2 (2), the most significant contacts were the Cl…H, C…H and N…H contacts. Their contributions in the molecular packing were 16.5, 9.7 and 25.3%, respectively. The propensity of atom pairs of elements to form contacts in the crystal structure was analyzed using enrichment ratio (EXY).


Keywordssupramolecular chemistrycadmium

Free keywordscadmium; s-triazine; X-ray structure; supramolecular; Hirshfeld; dnorm


Contributing organizations


Ministry reportingYes

VIRTA submission year2023

JUFO rating1


Last updated on 2024-12-10 at 17:30