Structural Transformation Pathways of Alkaline Earth Family Coordination Polymers Containing 3,3′,5,5′‐Biphenyl Tetracarboxylic Acid

Abstract

The understanding of crystal stepwise transformation is very important to enclose the "black box" in the preparation of crystal materials. In this work, different structural intermediates were isolated prior to the formation of the final alkali earth coordination polymers (CPs) during the preparation of three pairs of alkali earth CPs through solvothermal methoda nd convenient oil-bath reactions. Single crystal X-ray diffraction analysisd emonstrated the structural transformation from a0Dt o1D inorganic connectivity for the Ca-CPs and Sr-CPs, buta1Dto 0Dinorganic connectivity for Ba-CPs, involving the breakage/formation of chemical bonds in the reaction solutions. Furthera nalyses indicated that these two different structural transformation pathways are determined by the deprotonation of organic acid, competitiveb alance between the inorganic and organic connectivity,a nd the twist of the linker.F T-IR spectra, thermogravimetric and luminescence behaviors agree with their structural characteristics.

Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3′,5,5′-tetracarboxylic acid displaying luminescence

“…For example, researchers selected the rigid biphenyl-3,3 0 ,5,5 0tetracarboxylic acid (H 4 BPTC) ligand to coordinate with transition-metal ions, most of the time yielding functional CPs for sensing metal ions or organic molecules (Zhao et al, 2016;Wang et al, 2016), adsorbing gas (Liu et al, 2018), photoluminescence (Zhu et al, 2014), etc. Even their crystal-tocrystal structural transformations were investigated (Lu et al, 2019). Rare-earth-metal emission exhibits a long wavelength with deeper penetration among other merits (Hao et al, 2018).…”

Structural and physical properties of trichloroethylene under an external electric field

“…Density functional theory (DFT) is a commonly used method in condensed matter physics, computational materials science, and computational chemistry. [ 19–26 ] In this work, the changes in geometrical structure, total energy, dipole moment, electron density difference, energy level distribution, atomic dipole moment corrected Hirshfeld population (ADCH) charge, Raman spectra, and dissociation properties of trichloroethylene under EEF were investigated on the basis of DFT with the B3LYP/def2‐TZVP level. These calculations provide an important theoretical criterion to understand the structural and physical properties of trichloroethylene.…”

Tuning the bonding dimensions for coordination polymers based on rare earth metal ions

“…Similar phenomena were found for the alkaline earth cations. 23 Thermogravimetric analysis revealed the stabilities for compounds 1-3 (Fig. 8).…”