TY - JOUR

T1 - Deprotonated 5-acetylmethyl-1,2,4-oxadiazoles as bidentate chelating ligands for the synthesis of palladium(II) and copper(II) complexes

AU - Абулхаев, Якоб Умарович

AU - Семенов, Артем Валерьевич

AU - Иванов, Даниил Михайлович

AU - Федорова, Ирина Игоревна

AU - Игнатов, Евгений Владиславович

AU - Радюш, Е.А.

AU - Байков, Сергей Валентинович

AU - Бокач, Надежда Арсеньевна

PY - 2025/11/1

Y1 - 2025/11/1

N2 - Neutral bis-chelate complexes M(L)2 (M = Pd(II); LH = 3-R-5-acetylmethyl-1,2,4-oxadiazole: R = Me 1a, Et 1b, Bn 1c, Ph 1d, 4-Tol 1e; M = Cu(II); LH = 3-R-5-acetylmethyl-1,2,4-oxadiazole: R = Me 2a, Et 2b, Bn 2c, Ph 2d, 4-Tol 2e) were synthesized in moderate to good yields (61–87%) by the reaction of the corresponding 5-acetylmethyl-1,2,4-oxadiazole with Na2[PdCl4] or CuCl2·2H2O in the presence of sodium tert-butoxide as a base. The complexes were characterized by IR (1a–e and 2a–e) and 1H and 13C{1H} NMR spectroscopy (1a–e), electrospray ionization high-resolution mass spectrometry (ESI-HRMS; 1a–e and 2a–e), and powder X-ray diffraction analysis (2a–e). Compounds 1a–e and 2a–e are also characterized by single-crystal X-ray diffraction data. Their coordination geometries and supramolecular organization differ significantly depending on the nature of the metal center and the substituent R.

AB - Neutral bis-chelate complexes M(L)2 (M = Pd(II); LH = 3-R-5-acetylmethyl-1,2,4-oxadiazole: R = Me 1a, Et 1b, Bn 1c, Ph 1d, 4-Tol 1e; M = Cu(II); LH = 3-R-5-acetylmethyl-1,2,4-oxadiazole: R = Me 2a, Et 2b, Bn 2c, Ph 2d, 4-Tol 2e) were synthesized in moderate to good yields (61–87%) by the reaction of the corresponding 5-acetylmethyl-1,2,4-oxadiazole with Na2[PdCl4] or CuCl2·2H2O in the presence of sodium tert-butoxide as a base. The complexes were characterized by IR (1a–e and 2a–e) and 1H and 13C{1H} NMR spectroscopy (1a–e), electrospray ionization high-resolution mass spectrometry (ESI-HRMS; 1a–e and 2a–e), and powder X-ray diffraction analysis (2a–e). Compounds 1a–e and 2a–e are also characterized by single-crystal X-ray diffraction data. Their coordination geometries and supramolecular organization differ significantly depending on the nature of the metal center and the substituent R.

KW - 1,2,4-oxadiazoles

KW - Bis-chelates

KW - Copper(II) complexes

KW - Noncovalent interactions

KW - Palladium(II) complexes

UR - https://www.mendeley.com/catalogue/926b6ad6-4468-3aff-858d-9bec213e4471/

U2 - 10.1016/j.ica.2025.122817

DO - 10.1016/j.ica.2025.122817

M3 - Article

VL - 587

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

M1 - 122817

ER -