Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, Category: pyridine-derivatives, 34803-66-2, Name is 1-(2-Pyridyl)piperazine, SMILES is N1(C2=NC=CC=C2)CCNCC1, belongs to pyridine-derivatives compound. In a document, author is Cocic, Dusan, introduce the new discover.
Tuning the lability of a series of Ru(II) polypyridyl complexes: a comparison of experimental-kinetic and DFT-predicted reaction mechanisms
This report deals with a comparison of experimentally obtained kinetic and activation parameter data, and theoretical DFT computations, in terms of mechanistic information on the water exchange and water displacement reactions by thiourea for a series of complexes of the type [Ru-II(terpy)(N<^>N)(H2O)](2+), where terpy = 2,2 ‘:6 ‘,2 ”-terpyridine and N<^>N represents ethylenediamine (en), 2-(aminomethyl)pyridine (ampy), 2,2 ‘-bipyridine (bipy), 1,10-phenantroline (phen), and N,N,N ‘,N ‘-tetramethylethylenediamine (tmen). The complexes were all isolated in the form of [Ru(terpy)(N<^>N)Cl]X (X = Cl- or ClO4-) compounds and fully characterized in both the solid state and in solution. The DFT calculations revealed further mechanistic insight into the water exchange reactions as well as the water displacement reactions by thiourea. Both the experimental activation parameters and the DFT calculations suggest the operation of an associative interchange (I-a) mechanism for both reaction types studied. [GRAPHICS] .
A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 34803-66-2. Category: pyridine-derivatives.
Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem