New coordination compounds of gadolinium with $\beta$-diketones containing unsaturated and aliphatic or aromatic substituents in the $\alpha$-positions of the chelate ring have been synthesized. The performed quantum-chemical calculations of ligand molecules indicate the best acceptor properties of ligands with aromatic substituents. An analysis of the IR spectra and quantum chemical calculations of the metal complexes indicates the bidentate-chelate coordination of the ligand molecules and their arrangement in different planes, regardless of the nature and geometric structure of the substituent in the $\beta$-diketone molecule. The energies of the triplet levels of the ligands are calculated. The morphology and dispersion of the synthesized metal complexes have been studied.
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