Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 128071-98-7, Name is 4-Bromo-2-fluoropyridine, molecular formula is , belongs to pyridine-derivatives compound. In a document, author is Huang, Pin-Wen, Quality Control of 4-Bromo-2-fluoropyridine.
Understanding the Stability Trend Along Light Lanthanide Complexes with an Ehtylenediamine-Type Ligand: A Quantum Chemical Study
In this work, the downward-upward-downward stability trend of a series light lanthanide (Ln, from La to Gd) complexes with N,N,N ‘,N ‘-tetrakis[(6-carboxypyridin-2-yl)methyl] ethylene-diamine (TPAEN) were theoretically investigated using density functional theory (DFT). TPSSh/SC-ECP method which can better reproducing sample Eu-TPAEN complex’ experimental geometrical structural data was selected to investigate the bonding nature, bonding strength and thermodynamic properties of these Ln-complexes. Based on our calculations, weak partial covalent character exists in Ce-O, Pr-O, and Nd-O bonds, does not induce more stable properties but break down the balance of 10-coordinated Ln-TPAEN structures, and lead to the suddenly decreasing of stability from La-TPAEN to Ce-TPAEN. Besides, the special capsule-shaped structure, steric effect, and the balance between strength changing of Ln-N-py (N-py is the nitrogen atom at the pyridine ring), Ln-N-am (N-am is the nitrogen atom at the amine chain) and Ln-O interactions along the studied light Ln-complexes might be key factors for the following upward-downward stability trend from Ce to Gd. Our studies may give a reasonable explanation for the downward-upward-downward stability trend of the studied systems. We hope this work can shed light for the future lanthanide separation reagent designing.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 128071-98-7, in my other articles. Quality Control of 4-Bromo-2-fluoropyridine.
Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem