Reference of 72811-73-5, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 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 Shiels, Oisin J., introduce new discover of the category.
Reactivity Trends in the Gas-Phase Addition of Acetylene to the N-Protonated Aryl Radical Cations of Pyridine, Aniline, and Benzonitrile
A key step in gas-phase polycyclic aromatic hydrocarbon (PAH) formation involves the addition of acetylene (or other alkyne) to a-type aromatic radicals, with successive additions yielding more complex PAHs. A similar process can happen for N-containing aromatics. In cold diffuse environments, such as the interstellar medium, rates of radical addition may be enhanced when the a-type radical is charged. This paper investigates the gas-phase ion-molecule reactions of acetylene with nine aromatic distonic sigma-type radical cations derived from pyridinium (Pyr), aniliniutn (Anl), and benzonitrilium (Bzn) ions. Three isomers are studied in each case (radical sites at the ortho, meta, and para positions). Using a room temperature ion trap, second-order rate coefficients, product branching ratios, and reaction efficiencies are measured. The rate coefficients increase from para to ortho positions. The second-order rate coefficients can be sorted into three groups: low, between 1 and 3 x 10 – molecule(-1) s(-1) (3Anl and 4Anl); intermediate, between 5 and 15 X 10(-12) cm(3) molecule(-1) s(-1) (2Bzn, 3Bzn, and 4Bzn); and high, between 8 and 31 X 10(-11) cm(3) molecule(-1) s(-1) (2Anl, 2Pyr, 3Pyr, and 4Pyr); and 2Anl is the only radical cation with a rate coefficient distinctly different from its isomers. Quantum chemical calculations, using M06-2X-D3(0)/6-31++G(2df,p) geometries and DSD-PBEP86-NL/aug-cc-pVQZ energies, are deployed to rationalize reactivity trends based on the stability of prereactive complexes. The G3X-K method guides the assignment of product ions following adduct formation. The rate coefficient trend can be rationalized by a simple model based on the prereactive complex forward barrier height.
Reference of 72811-73-5, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 72811-73-5.
Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem