Category: 72811-73-5

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. 72811-73-5, Name is 4-(m-Tolylamino)pyridine-3-sulfonamide, formurla is C12H13N3O2S. In a document, author is Carniato, S., introducing its new discovery. Computed Properties of C12H13N3O2S.

Double-core ionization photoelectron spectroscopy of C6H6: Breakdown of the intuitive ortho-meta-para binding energy ordering of K-1 K-1 states

Single-site Double-Core Hole (ss-DCH or K-2) and two-site Double-Core Hole (ts-DCH or K-1K-1) photoelectron spectra including satellite lines were experimentally recorded for the aromatic C6H6 molecule using the synchrotron radiation and multielectron coincidence technique. Density functional theory and post-Hartree-Fock simulations providing binding energies and relative intensities allow us to clearly assign the main K-2 line and its satellites. K-1K-1 states’ positions and assignments are further identified using a core-equivalent model. We predict that, contrary to what has been observed in the C2H2n series of molecules, the K-1K-1 energy-level ordering in C6H6 does not reflect the core-hole distances between the two holes. Published under license by AIP Publishing.

If you are hungry for even more, make sure to check my other article about 72811-73-5, Computed Properties of C12H13N3O2S.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem

Related Products of 72811-73-5, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 72811-73-5, Name is 4-(m-Tolylamino)pyridine-3-sulfonamide, SMILES is CC1=CC=CC(NC2=C(C=NC=C2)S(N)(=O)=O)=C1, belongs to pyridine-derivatives compound. In a article, author is Popa, Marcel Mirel, introduce new discover of the category.

Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution C-13-NMR spectroscopy

X-ray crystallography revealed the presence of halogen bonding in the crystal supramolecular structure of three highly substituted 1-arylpyrazoles. However the compounds 1-3 present different halogen bonding motifs that feature C-I center dot center dot center dot N (1), C-I center dot center dot center dot O (2) and C-I center dot center dot center dot pi (3) contacts respectively. The magnitudes of the sigma-hole corresponding to the iodine atom in the 5-iodo-1-arylpyrazoles 1-3 were calculated by DFT methods and the importance of halogen bonding as a significant stabilizing force within the crystal lattice was evaluated. The halogen bonding of 1-aryl-5-iodopyrazoles with several Lewis bases (Et3N, pyridine, DABCO or DMSO) was investigated by C-13 NMR spectroscopy in the solution phase to confirm the halogen bonding affinity of the iodine atom. The most suitable reporting atom for the formation of the halogen bond is C-5 of the pyrazole ring, which is directly bonded to the iodine atom. The C-5 atom is significantly deshielded by as much as 6-7 ppm upon interaction with the Lewis bases in solution revealing the strong halogen bonding character of the iodine atom attached to C-5 of the pyrazole ring.

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Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem