One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 112101-81-2, Name is R-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide, formurla is C10H16N2O3S. In a document, author is Wieclaw, Michal M., introducing its new discovery. Product Details of 112101-81-2.
Mn K-edge X-ray absorption spectroscopy experiments were performed on the solid- and solution-phase samples of [Mn-II(dpaq(R))](OTf) (R=H, Me) and [Mn-III(OH)(dpaq(R))](OTf). The extended X-ray absorption fine structure (EXAFS) data show distinct differences between the Mn-II and Mn-III-OH complexes, with fits providing metric parameters in excellent agreement with values from X-ray crystallography and density functional theory (DFT) computations. Evaluation of the EXAFS data for solid-phase [Mn-III(OH)(dpaq)](OTf) resolved a short Mn-OH bond distance of 1.79 ; however, the short trans-amide nitrogen bond of the supporting ligand precluded the resolution of the Mn-OH bond distance in the corresponding solution-phase sample and for both [Mn-III(OH)(dpaq(Me))](OTf) samples. The edge energy also increases by approximately 2 eV from the Mn-II to the Mn-III-OH complexes. Experimental pre-edge analysis shows the Mn-II complexes to have pre-edge areas comparable to the Mn-III-OH complexes, despite the presence of the relatively short Mn-OH distance. Time-dependent density functional theory (TD-DFT) computations illustrate that Mn 3d-4p mixing, a primary contributor to pre-edge intensities, decreases by similar to 0.3% from the Mn-II to Mn-III-OH complexes, which accounts for the very similar pre-edge areas. Collectively, this work shows that combined EXAFS and XANES analysis has great potential for identification of reactive Mn-III-OH intermediates, such as those proposed in enzyme active sites.
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Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics