Structural study of the coordination behavior of a tetradentate NO₃-donor amino alcohol ligand toward a Cd^II:Hg^II mixture

Abstract

Abstract:In this work, the reaction of 2,2′,2″-nitrilotriethanol (NTE) with a 1:1 mixture of CdI 2 and HgI 2 is investigated. The complex [Cd(NTE) 2 ][Hg 2 (μ-I) 2 I 4 ] was synthesized and identified by elemental analysis, FT-IR, 1 H NMR spectroscopy and single-crystal X-ray diffraction. The structure of the [HNTE]Cl salt is also presented. In the crystal structure of the complex, the cadmium atom has a CdN 2 O 6 environment in a slightly distorted cube geometry. This geometry is one of the rare cube geometries with a minimum distortion among the Cambridge Structural Database structures for cadmium complexes. The anionic moiety has a binuclear structure with the mercury atoms being in tetrahedral environments. In the network of the complex, in addition to O−H · · · I hydrogen bonds, there are I · · · I interactions which lead to ten-membered rings.

Theoretical and experimental investigation of anticancer activities of an acyclic and symmetrical compartmental Schiff base ligand and its Co(ii), Cu(ii) and Zn(ii) complexes

“…9 ), respectively, confirming that 2 is more stabilized in the solid state by its network interactions than the others. 75 Also comparing the energy level of interactions for one molecule of 2 with the trapped methanol molecule in the crystal network of 2 showed that one molecule of 2 is more stabilized than the methanol molecule by inter molecular interactions. In 1, 89% of the total energy equates to the interactions with its fourteen closest neighboring molecules in ranges of 7.147–13.965 Å distances ( Fig.…”

“…Total intermolecular interaction energy for one molecule of the complexes 1-3 were calculated using Mercury 73 and its CSD-materials tool. 62,74 For this, the sum of the intermolecular interactions energy in a molecular packing shell containing 100 molecules 75 around the one molecule of 1-3 were calculated to be À390.23, À561.05 (complex 2), À44.96 (MeOH in the 2) and À420.68 kJ mol À1 (Fig. 9), respectively, conrming that 2 is more stabilized in the solid state by its network interactions than the others.…”

The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey

“…were calculated using Mercury [78] and its CSD-materials tool [79,80]. For this, the sum of the intermolecular interactions energy in a molecular packing shell containing 100 molecules [81] around the one molecule of 3 and Z-HMPP were calculated to be −997.12 (complex 3 containing Zn1B), −969.762 (complex 3 containing Zn1A) and -339.548 kJ/mol (Fig. 7), respectively, confirming that one molecule of complex 3 is more stabilized in the solid state by its network interactions than Z-HMPP [81].…”

An ionic Cd/Hg mixed-metal complex with an aminoalcohol ligand

“…In the crystal packing of the 1, the O-H • • • I hydrogen bonds participate in the formation of one 4 (22) hydrogen bond motif[40,41].…”