Synthesis, crystal structure, vibrational and optical properties of a new Pb(II) complex (2-hydroxyethyl)piperazine-1,4-diium tetrachloroplombate(II) C6H16N2OPbCl4

Abstract

A novel hybrid material, C 6 H 16 N 2 OPbCl 4 , has been successfully synthesized in nitrogen atmosphere by slow evaporation at room temperature. The compound structure was determined by single-crystal X-ray diffraction and crystallizes in the triclinic space group P-1 (a = 5.9926(2) Å, b = 10.3691(5) Å, c = 11.3558(4) Å, α=111.755(4)°,β= 96.080(3)°, γ = 105.948(4)°, Z= 2) at 293 K. The structure is built up from anionic 1-D polymeric chains of PbCl 4 O octahedral extended along the (b + c)-axis. These chains are interconnected O-H•••Cl hydrogen bonds to form inorganic layers parallel to (a, b + c) plane. The organic layers are inserted between the inorganic ones and connect them through N-H•••Cl and C-H•••Cl hydrogen bonds hydrogen bonds to build a three dimensional network. To gain more information about intermolecular interaction we used Hirshfeld surfaces associated with 2D finger plots. The optical and PL properties of the compound were investigated in the solid state at room temperature and exhibited two bands at 250 and 290 nm and a photoluminescence emission at 529 nm. Raman and infrared spectra were used to gain more information for vibrational modes of the title compound. As for thermal analysis, DSC analysis shows that this compound is stable at temperature below melting point. Finally, XPS analysis is achieved for analyzing the surface chemistry of C 6 H 16 N 2 OPbCl 4 crystals.

A new 1D Zn(II) coordination polymer containing 2-amino-4,6-dimethoxypyrimidine ligand: crystal structure, Hirshfeld surface analysis, and physicochemical studies

“…The observed bands in the 1200 -1000 cm −1 region correspond to the valence vibrations of C-C and C-N groups [48,49]. The bands in the range 1000-600 cm -1 can be attributed to the out of plane bending modes of C-H, N-H, C-C and C-N groups [50]. DFT calculations of the frequencies were made by use of the B3LYP/6-31+G* method on the geometry obtained after optimization of the protons.…”

Synthesis, Crystal Structures, Hirshfeld Surfaces Analysis and Physico-Chemical Characterization of Two New ZnII and CdII Halidometallates

“…In that event, the cohesion of the whole structure is ensured only by weak bonds, namely hydrogen bonding, ionic bonds and Van der Waals interactions.The class of these hybrid compounds is very wide and very often conserves the properties of the individual parts, i.e. the organic component offer structural diversity (great exibility in the choice of molecules, length, polarizability, degree of saturation…) and also remarkable luminescent properties and potential of conductivity while the inorganic component potentially contributes to thermal stability, mechanical resistance, interesting magnetic or ferroelectric transitions and electric properties (conductor, semiconductor, insulator…) [11][12]. Most of these ionicorganic-inorganic hybrid metal halidesexperience multiple structural phase transitions frequently related to the reorientation dynamics of the organic ammonium groups [13][14][15][16] and some even show interesting physical properties, such as, pyroelectricity, ferroelectricity, ferroelasticity and low dimensional magnetism [13,17,18].Moreover, these materials were applied as catalysts in catalytic reactions such as acetylation [19], Henry reaction [20]at room temperature under mild conditions in the presence of methanol, as solvent.…”

Synthesis of New Homopiperazine-1.4-Diium Tetrachloridromercurate (II) Monohydrate (C5H14N2)[HgCl4]·H2O, Crystal Structure, Hirshfeld Surface, Spectroscopy, Thermal Analysis, Antioxidant Activity, Electric and Dielectric Behavior

“…Figure9shows the IR spectrum of the crystal (C 5 H 14 N 2 )[HgCl 4 ]•H 2 O. We will determine the different functional groups using published research of similar materials possessing the same organic cation[48][49][50][51][52]. In TableS3, we propose an attempt to designate this compound's most representative vibrational modes.The bands located at 3522 and 3433 cm −1 correspond to the valence vibrations of the water molecule.…”