RT Journal Article
T1 Supramolecular coordination polymers, obtained from multidentate N′-benzoylpyrazine-2-carbohydrazonamide and a variety of salts PbX2 (X = Cl− , NO3 − , NO2 − , SCN− ), derived from tetrel and other noncovalent bonds
A1 Mahmoudi, Ghodrat
A1 García Santos, María Isabel
A1 Castiñeiras Campos, Alfonso
A1 Gurbanov, Atash V.
A1 Tutar, Omer Faruk
A1 Panova, Elizaveta V.
A1 Gomila Ribas, Rosa María
A1 Frontera Beccaria, Antonio
K1 Lead(II)
K1 Hydrazone
K1 Coordination polymer
K1 Crystal structure
K1 X-ray
K1 DFT
K1 Tetrel
AB Four lead(II) complexes, [Pb(HL)Cl2] (1), [Pb(HL)2(NO3)2] (2), [PbL(NO2)] (3) and [PbL(NCS)(H2O)]·H2O (4·H2O), were synthesized from PbX₂ salts and the ligand N′-benzoylpyrazine-2-carbohydrazonamide (HL). Spectroscopic characterization confirmed that complexes 1 and 2 contain the neutral ligand (HL), while 3 and 4·H2O feature its deprotonated form (L). In all structures, the Pb2+ center is N,N′,O-chelated by the ligand. Bond length analysis revealed the longest Pb–N/O bonds in 2 due to coordination of two neutral HL ligands, whereas the deprotonated L− in 3 and 4·H2O resulted in shorter Pb–Nimine and Pb–Ocarbonyl bonds. Secondary Pb⋯X tetrel bonds (X = Cl, N, O, S) form in complexes 1, 3, and 4·H2O due to coordination sphere gaps, leading to supramolecular 1D chains (1, 4·H2O) or a 2D sheet (3). These assemblies are further stabilized by extensive hydrogen bonding and π⋯π stacking interactions. The nature of the tetrel bonds was investigated using MEP surface analysis, dimerization energy calculations, and quantum chemical tools (QTAIM, NCIplot). Electron localization function (ELF) and Laplacian maps differentiated tetrel bonds from primary coordination bonds, and the energy contributions of coexisting tetrel and hydrogen bonds were quantified.
PB Elsevier
SN 1879-0259
YR 2025
FD 2025-12-25
LK https://hdl.handle.net/10347/45732
UL https://hdl.handle.net/10347/45732
LA eng
NO Mahmoudi, G., Garcia-Santos, I., Castiñeiras, A., Gurbanov, A. V., Tutar, Ö F., Panova, E. V., Gomila, R. M., Frontera, A., & Safin, D. A. (2026). Supramolecular coordination polymers, obtained from multidentate N′-benzoylpyrazine-2-carbohydrazonamide and a variety of salts PbX2 (X = Cl−, NO3−, NO2−, SCN−), derived from tetrel and other noncovalent bonds. Inorganic Chemistry Communications, 185, 116058. 10.1016/j.inoche.2025.116058
NO This work was supported by the grant from the Russian Science Foundation (No. 24-23-00118), Conselleria de Cultura, Educacion, Formacion Profesional e Universidades, Xunta de Galicia (ED431B 2023/19) and MICIU/AEI of Spain (project PID2023-148453NB-I00, FEDER funds)
DS Minerva
RD 23 may 2026